2-[[3-(aminomethyl)-6-(1,3-benzoxazol-7-yl)quinolin-4-yl]amino]benzoic acid;3-bromo-6-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-2-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]benzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-methoxybenzoic acid

C109H99Br5N16O18 — CID 167586801

IUPAC2-[[3-(aminomethyl)-6-(1,3-benzoxazol-7-yl)quinolin-4-yl]amino]benzoic acid;3-bromo-6-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-2-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]benzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-methoxybenzoic acid
SMILESCOc1cccc(Nc2c(CN3CCOCC3)cnc3ccc(Br)cc23)c1C(=O)O.NCc1cnc2ccc(-c3cccc4ncoc34)cc2c1Nc1ccccc1C(=O)O.O=C(O)c1c(Nc2c(CN3CCOCC3)cnc3ccc(Br)cc23)ccc(Br)c1O.O=C(O)c1c(O)cccc1Nc1c(CN2CCOCC2)cnc2ccc(Br)cc12.O=C(O)c1ccccc1Nc1c(CN2CCOCC2)cnc2ccc(Br)cc12
InChIInChI=1S/C24H18N4O3.C22H22BrN3O4.C21H19Br2N3O4.C21H20BrN3O4.C21H20BrN3O3/c25-11-15-12-26-19-9-8-14(16-5-3-7-21-23(16)31-13-27-21)10-18(19)22(15)28-20-6-2-1-4-17(20)24(29)30;1-29-19-4-2-3-18(20(19)22(27)28)25-21-14(13-26-7-9-30-10-8-26)12-24-17-6-5-15(23)11-16(17)21;22-13-1-3-16-14(9-13)19(12(10-24-16)11-26-5-7-30-8-6-26)25-17-4-2-15(23)20(27)18(17)21(28)29;22-14-4-5-16-15(10-14)20(13(11-23-16)12-25-6-8-29-9-7-25)24-17-2-1-3-18(26)19(17)21(27)28;22-15-5-6-18-17(11-15)20(24-19-4-2-1-3-16(19)21(26)27)14(12-23-18)13-25-7-9-28-10-8-25/h1-10,12-13H,11,25H2,(H,26,28)(H,29,30);2-6,11-12H,7-10,13H2,1H3,(H,24,25)(H,27,28);1-4,9-10,27H,5-8,11H2,(H,24,25)(H,28,29);1-5,10-11,26H,6-9,12H2,(H,23,24)(H,27,28);1-6,11-12H,7-10,13H2,(H,23,24)(H,26,27)
InChIKeyHXFDFPNFDUOACX-UHFFFAOYSA-N
MW2320.60 g/mol
LogP22.21
Rot. Bonds26

About 2-[[3-(aminomethyl)-6-(1,3-benzoxazol-7-yl)quinolin-4-yl]amino]benzoic acid;3-bromo-6-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-2-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]benzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-methoxybenzoic acid

2-[[3-(aminomethyl)-6-(1,3-benzoxazol-7-yl)quinolin-4-yl]amino]benzoic acid;3-bromo-6-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-2-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]benzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-methoxybenzoic acid (PubChem CID 167586801) has the molecular formula C109H99Br5N16O18 and a molecular weight of 2320.60 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)-6-(1,3-benzoxazol-7-yl)quinolin-4-yl]amino]benzoic acid;3-bromo-6-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-2-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]benzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-methoxybenzoic acid.

Molecular Properties

Compound Name2-[[3-(aminomethyl)-6-(1,3-benzoxazol-7-yl)quinolin-4-yl]amino]benzoic acid;3-bromo-6-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-2-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]benzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-methoxybenzoic acid
PubChem CID167586801
Molecular FormulaC109H99Br5N16O18
Molecular Weight2320.60 g/mol
Exact Mass2314.32
IUPAC Name2-[[3-(aminomethyl)-6-(1,3-benzoxazol-7-yl)quinolin-4-yl]amino]benzoic acid;3-bromo-6-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-2-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]benzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-methoxybenzoic acid
SMILESCOc1cccc(Nc2c(CN3CCOCC3)cnc3ccc(Br)cc23)c1C(=O)O.NCc1cnc2ccc(-c3cccc4ncoc34)cc2c1Nc1ccccc1C(=O)O.O=C(O)c1c(Nc2c(CN3CCOCC3)cnc3ccc(Br)cc23)ccc(Br)c1O.O=C(O)c1c(O)cccc1Nc1c(CN2CCOCC2)cnc2ccc(Br)cc12.O=C(O)c1ccccc1Nc1c(CN2CCOCC2)cnc2ccc(Br)cc12
InChIInChI=1S/C24H18N4O3.C22H22BrN3O4.C21H19Br2N3O4.C21H20BrN3O4.C21H20BrN3O3/c25-11-15-12-26-19-9-8-14(16-5-3-7-21-23(16)31-13-27-21)10-18(19)22(15)28-20-6-2-1-4-17(20)24(29)30;1-29-19-4-2-3-18(20(19)22(27)28)25-21-14(13-26-7-9-30-10-8-26)12-24-17-6-5-15(23)11-16(17)21;22-13-1-3-16-14(9-13)19(12(10-24-16)11-26-5-7-30-8-6-26)25-17-4-2-15(23)20(27)18(17)21(28)29;22-14-4-5-16-15(10-14)20(13(11-23-16)12-25-6-8-29-9-7-25)24-17-2-1-3-18(26)19(17)21(27)28;22-15-5-6-18-17(11-15)20(24-19-4-2-1-3-16(19)21(26)27)14(12-23-18)13-25-7-9-28-10-8-25/h1-10,12-13H,11,25H2,(H,26,28)(H,29,30);2-6,11-12H,7-10,13H2,1H3,(H,24,25)(H,27,28);1-4,9-10,27H,5-8,11H2,(H,24,25)(H,28,29);1-5,10-11,26H,6-9,12H2,(H,23,24)(H,27,28);1-6,11-12H,7-10,13H2,(H,23,24)(H,26,27)
InChIKeyHXFDFPNFDUOACX-UHFFFAOYSA-N
XLogP22.21
TPSA462.72 Ų
H-Bond Donors13
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002320.60
LogP ≤ 522.21
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1029

Analyze 2-[[3-(aminomethyl)-6-(1,3-benzoxazol-7-yl)quinolin-4-yl]amino]benzoic acid;3-bromo-6-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-2-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]benzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-methoxybenzoic acid with MolForge

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Related Compounds

3-bromo-6-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-2-hydroxybenzoic acid
CID 167586805
2-[[6-bromo-3-(1,3-oxazol-2-yl)quinolin-4-yl]amino]-6-methoxybenzoic acid
CID 155235413
2-[[3-(morpholin-4-ylmethyl)-6-pyrrolo[3,2-c]pyridin-1-ylquinolin-4-yl]amino]benzoic acid
CID 167629684
2-acetamido-6-[(6-bromo-3-morpholin-4-ylsulfanylquinolin-4-yl)amino]benzoic acid
CID 155245532
2-[(6-bromo-3-cyanoquinolin-4-yl)amino]benzoic acid
CID 155235404
2-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-6-methoxybenzoic acid
CID 155235436
6-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 3232787
2-chloro-4-[3-(cyclopropylmethyl)-4-[4-(morpholin-4-ylmethyl)anilino]quinolin-6-yl]-6-methoxyphenol
CID 118658942
2-[[3-ethoxycarbonyl-6-(1H-indol-4-yl)quinolin-4-yl]amino]benzoic acid
CID 155235631
4-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid
CID 22217980
6-bromo-4-(morpholin-4-ylamino)quinoline-3-carboxylic acid
CID 166645341
4-methoxy-N-[3-[3-[[4-methoxy-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide;molecular hydrogen
CID 153331960

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)-6-(1,3-benzoxazol-7-yl)quinolin-4-yl]amino]benzoic acid;3-bromo-6-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-2-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]benzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-methoxybenzoic acid?
The IUPAC name of 2-[[3-(aminomethyl)-6-(1,3-benzoxazol-7-yl)quinolin-4-yl]amino]benzoic acid;3-bromo-6-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-2-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]benzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-methoxybenzoic acid (CID 167586801) is 2-[[3-(aminomethyl)-6-(1,3-benzoxazol-7-yl)quinolin-4-yl]amino]benzoic acid;3-bromo-6-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-2-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]benzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-methoxybenzoic acid.
What is the SMILES notation for 2-[[3-(aminomethyl)-6-(1,3-benzoxazol-7-yl)quinolin-4-yl]amino]benzoic acid;3-bromo-6-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-2-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]benzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-methoxybenzoic acid?
The canonical SMILES for 2-[[3-(aminomethyl)-6-(1,3-benzoxazol-7-yl)quinolin-4-yl]amino]benzoic acid;3-bromo-6-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-2-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]benzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-methoxybenzoic acid is COc1cccc(Nc2c(CN3CCOCC3)cnc3ccc(Br)cc23)c1C(=O)O.NCc1cnc2ccc(-c3cccc4ncoc34)cc2c1Nc1ccccc1C(=O)O.O=C(O)c1c(Nc2c(CN3CCOCC3)cnc3ccc(Br)cc23)ccc(Br)c1O.O=C(O)c1c(O)cccc1Nc1c(CN2CCOCC2)cnc2ccc(Br)cc12.O=C(O)c1ccccc1Nc1c(CN2CCOCC2)cnc2ccc(Br)cc12.
What is the InChIKey of 2-[[3-(aminomethyl)-6-(1,3-benzoxazol-7-yl)quinolin-4-yl]amino]benzoic acid;3-bromo-6-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-2-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]benzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-methoxybenzoic acid?
The InChIKey is HXFDFPNFDUOACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3.C22H22BrN3O4.C21H19Br2N3O4.C21H20BrN3O4.C21H20BrN3O3/c25-11-15-12-26-19-9-8-14(16-5-3-7-21-23(16)31-13-27-21)10-18(19)22(15)28-20-6-2-1-4-17(20)24(29)30;1-29-19-4-2-3-18(20(19)22(27)28)25-21-14(13-26-7-9-30-10-8-26)12-24-17-6-5-15(23)11-16(17)21;22-13-1-3-16-14(9-13)19(12(10-24-16)11-26-5-7-30-8-6-26)25-17-4-2-15(23)20(27)18(17)21(28)29;22-14-4-5-16-15(10-14)20(13(11-23-16)12-25-6-8-29-9-7-25)24-17-2-1-3-18(26)19(17)21(27)28;22-15-5-6-18-17(11-15)20(24-19-4-2-1-3-16(19)21(26)27)14(12-23-18)13-25-7-9-28-10-8-25/h1-10,12-13H,11,25H2,(H,26,28)(H,29,30);2-6,11-12H,7-10,13H2,1H3,(H,24,25)(H,27,28);1-4,9-10,27H,5-8,11H2,(H,24,25)(H,28,29);1-5,10-11,26H,6-9,12H2,(H,23,24)(H,27,28);1-6,11-12H,7-10,13H2,(H,23,24)(H,26,27).
What are the key properties of 2-[[3-(aminomethyl)-6-(1,3-benzoxazol-7-yl)quinolin-4-yl]amino]benzoic acid;3-bromo-6-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-2-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]benzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-methoxybenzoic acid?
2-[[3-(aminomethyl)-6-(1,3-benzoxazol-7-yl)quinolin-4-yl]amino]benzoic acid;3-bromo-6-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-2-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]benzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-methoxybenzoic acid has a molecular weight of 2320.60 g/mol, XLogP of 22.21, 26 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)-6-(1,3-benzoxazol-7-yl)quinolin-4-yl]amino]benzoic acid;3-bromo-6-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-2-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]benzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-methoxybenzoic acid is sourced from PubChem (CID 167586801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).