3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[4-(trifluoromethyl)phenyl]benzamide

C84H81F6N15O12 — CID 159405262

IUPAC3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCOc1cc2ncnc(N(C)C(=O)Nc3cc(C(=O)Nc4ccc(C(C)C)c(C)c4)ccc3C)c2cc1OC.COc1cc2ncnc(N(C)C(=O)Nc3cc(C(=O)Nc4ccc(C(F)(F)F)cc4)ccc3C)c2cc1OC.COc1cc2ncnc(N(C)C(=O)Nc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)c2cc1OC
InChIInChI=1S/C30H33N5O4.2C27H24F3N5O4/c1-17(2)22-11-10-21(12-19(22)4)33-29(36)20-9-8-18(3)24(13-20)34-30(37)35(5)28-23-14-26(38-6)27(39-7)15-25(23)31-16-32-28;1-15-5-6-16(25(36)33-18-9-7-17(8-10-18)27(28,29)30)11-20(15)34-26(37)35(2)24-19-12-22(38-3)23(39-4)13-21(19)31-14-32-24;1-15-8-9-16(25(36)33-18-7-5-6-17(11-18)27(28,29)30)10-20(15)34-26(37)35(2)24-19-12-22(38-3)23(39-4)13-21(19)31-14-32-24/h8-17H,1-7H3,(H,33,36)(H,34,37);2*5-14H,1-4H3,(H,33,36)(H,34,37)
InChIKeyLNWJEGCZGZXITN-UHFFFAOYSA-N
MW1606.65 g/mol
LogP18.10
Rot. Bonds19

About 3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[4-(trifluoromethyl)phenyl]benzamide

3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 159405262) has the molecular formula C84H81F6N15O12 and a molecular weight of 1606.65 g/mol. Its IUPAC name is 3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID159405262
Molecular FormulaC84H81F6N15O12
Molecular Weight1606.65 g/mol
Exact Mass1605.61
IUPAC Name3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCOc1cc2ncnc(N(C)C(=O)Nc3cc(C(=O)Nc4ccc(C(C)C)c(C)c4)ccc3C)c2cc1OC.COc1cc2ncnc(N(C)C(=O)Nc3cc(C(=O)Nc4ccc(C(F)(F)F)cc4)ccc3C)c2cc1OC.COc1cc2ncnc(N(C)C(=O)Nc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)c2cc1OC
InChIInChI=1S/C30H33N5O4.2C27H24F3N5O4/c1-17(2)22-11-10-21(12-19(22)4)33-29(36)20-9-8-18(3)24(13-20)34-30(37)35(5)28-23-14-26(38-6)27(39-7)15-25(23)31-16-32-28;1-15-5-6-16(25(36)33-18-9-7-17(8-10-18)27(28,29)30)11-20(15)34-26(37)35(2)24-19-12-22(38-3)23(39-4)13-21(19)31-14-32-24;1-15-8-9-16(25(36)33-18-7-5-6-17(11-18)27(28,29)30)10-20(15)34-26(37)35(2)24-19-12-22(38-3)23(39-4)13-21(19)31-14-32-24/h8-17H,1-7H3,(H,33,36)(H,34,37);2*5-14H,1-4H3,(H,33,36)(H,34,37)
InChIKeyLNWJEGCZGZXITN-UHFFFAOYSA-N
XLogP18.10
TPSA317.04 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001606.65
LogP ≤ 518.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[4-(trifluoromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Aurora Kinase Inhibitor II
CID 6610278
[4-(6,7-Dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone
CID 137333966
4-ethyl-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)pyrimidin-2-yl]benzamide
CID 23646076
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methyl-4-[[methyl-[6-(methylamino)hexyl]amino]methyl]benzamide
CID 10651334
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-2-[(6-aminohexylamino)methyl]-N-methylbenzamide
CID 10745791
[4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 14423387
4-(3-Benzamidoanilino)-6,7-dimethoxyquinazoline
CID 22732253
2-((6,7-dimethoxyquinolin-4-yl)methyl)-N-(pyridin-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 24960306
[4-[[6,7-Dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]piperidin-1-yl]-phenylmethanone
CID 71738546
[4-[(6,7-Dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]-phenylmethanone
CID 71738608
2-[4-(3-Ethynylanilino)-6-(2-methoxyethoxy)quinazolin-7-yl]oxyethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoate
CID 73335502
2-[4-(3-Ethynylanilino)-7-[2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoyl]oxyethoxy]quinazolin-6-yl]oxyethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoate
CID 73335693

Frequently Asked Questions

What is the IUPAC name of 3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[4-(trifluoromethyl)phenyl]benzamide (CID 159405262) is 3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[4-(trifluoromethyl)phenyl]benzamide is COc1cc2ncnc(N(C)C(=O)Nc3cc(C(=O)Nc4ccc(C(C)C)c(C)c4)ccc3C)c2cc1OC.COc1cc2ncnc(N(C)C(=O)Nc3cc(C(=O)Nc4ccc(C(F)(F)F)cc4)ccc3C)c2cc1OC.COc1cc2ncnc(N(C)C(=O)Nc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)c2cc1OC.
What is the InChIKey of 3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is LNWJEGCZGZXITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O4.2C27H24F3N5O4/c1-17(2)22-11-10-21(12-19(22)4)33-29(36)20-9-8-18(3)24(13-20)34-30(37)35(5)28-23-14-26(38-6)27(39-7)15-25(23)31-16-32-28;1-15-5-6-16(25(36)33-18-9-7-17(8-10-18)27(28,29)30)11-20(15)34-26(37)35(2)24-19-12-22(38-3)23(39-4)13-21(19)31-14-32-24;1-15-8-9-16(25(36)33-18-7-5-6-17(11-18)27(28,29)30)10-20(15)34-26(37)35(2)24-19-12-22(38-3)23(39-4)13-21(19)31-14-32-24/h8-17H,1-7H3,(H,33,36)(H,34,37);2*5-14H,1-4H3,(H,33,36)(H,34,37).
What are the key properties of 3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[4-(trifluoromethyl)phenyl]benzamide?
3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 1606.65 g/mol, XLogP of 18.10, 19 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[(6,7-dimethoxyquinazolin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 159405262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).