6-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)quinolin-4-amine;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate

C105H72Cl5N25O2 — CID 165079693

IUPAC6-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)quinolin-4-amine;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc3nccc(Nc4cccc(Cl)c4)c3c2)c1.Clc1cccc(Nc2ccnc3ccc(-c4cncc(-c5nn[nH]n5)c4)cc23)c1.Clc1cccc(Nc2ccnc3ccc(-c4cncc(-n5cnnn5)c4)cc23)c1.N#Cc1cncc(-c2ccc3nccc(Nc4cccc(Cl)c4)c3c2)c1.Nc1cncc(-c2ccc3nccc(Nc4cccc(Cl)c4)c3c2)c1
InChIInChI=1S/C22H16ClN3O2.2C21H14ClN7.C21H13ClN4.C20H15ClN4/c1-28-22(27)16-9-15(12-24-13-16)14-5-6-20-19(10-14)21(7-8-25-20)26-18-4-2-3-17(23)11-18;22-16-2-1-3-17(10-16)26-21-6-7-24-20-5-4-14(9-19(20)21)15-8-18(12-23-11-15)29-13-25-27-28-29;22-16-2-1-3-17(10-16)25-20-6-7-24-19-5-4-13(9-18(19)20)14-8-15(12-23-11-14)21-26-28-29-27-21;22-17-2-1-3-18(10-17)26-21-6-7-25-20-5-4-15(9-19(20)21)16-8-14(11-23)12-24-13-16;21-15-2-1-3-17(10-15)25-20-6-7-24-19-5-4-13(9-18(19)20)14-8-16(22)12-23-11-14/h2-13H,1H3,(H,25,26);1-13H,(H,24,26);1-12H,(H,24,25)(H,26,27,28,29);1-10,12-13H,(H,25,26);1-12H,22H2,(H,24,25)
InChIKeyUXJYUKIMQDPKGX-UHFFFAOYSA-N
MW1893.17 g/mol
LogP25.87
Rot. Bonds18

About 6-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)quinolin-4-amine;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate

6-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)quinolin-4-amine;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate (PubChem CID 165079693) has the molecular formula C105H72Cl5N25O2 and a molecular weight of 1893.17 g/mol. Its IUPAC name is 6-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)quinolin-4-amine;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Name6-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)quinolin-4-amine;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate
PubChem CID165079693
Molecular FormulaC105H72Cl5N25O2
Molecular Weight1893.17 g/mol
Exact Mass1889.47
IUPAC Name6-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)quinolin-4-amine;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc3nccc(Nc4cccc(Cl)c4)c3c2)c1.Clc1cccc(Nc2ccnc3ccc(-c4cncc(-c5nn[nH]n5)c4)cc23)c1.Clc1cccc(Nc2ccnc3ccc(-c4cncc(-n5cnnn5)c4)cc23)c1.N#Cc1cncc(-c2ccc3nccc(Nc4cccc(Cl)c4)c3c2)c1.Nc1cncc(-c2ccc3nccc(Nc4cccc(Cl)c4)c3c2)c1
InChIInChI=1S/C22H16ClN3O2.2C21H14ClN7.C21H13ClN4.C20H15ClN4/c1-28-22(27)16-9-15(12-24-13-16)14-5-6-20-19(10-14)21(7-8-25-20)26-18-4-2-3-17(23)11-18;22-16-2-1-3-17(10-16)26-21-6-7-24-20-5-4-14(9-19(20)21)15-8-18(12-23-11-15)29-13-25-27-28-29;22-16-2-1-3-17(10-16)25-20-6-7-24-19-5-4-13(9-18(19)20)14-8-15(12-23-11-14)21-26-28-29-27-21;22-17-2-1-3-18(10-17)26-21-6-7-25-20-5-4-15(9-19(20)21)16-8-14(11-23)12-24-13-16;21-15-2-1-3-17(10-15)25-20-6-7-24-19-5-4-13(9-18(19)20)14-8-16(22)12-23-11-14/h2-13H,1H3,(H,25,26);1-13H,(H,24,26);1-12H,(H,24,25)(H,26,27,28,29);1-10,12-13H,(H,25,26);1-12H,22H2,(H,24,25)
InChIKeyUXJYUKIMQDPKGX-UHFFFAOYSA-N
XLogP25.87
TPSA363.22 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001893.17
LogP ≤ 525.87
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 6-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)quinolin-4-amine;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate with MolForge

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Related Compounds

Methyl 4-[3-[[6-[1-[[8-chloro-6-[6-cyano-5-[[2-(4-methoxycarbonylanilino)-2-oxoethyl]amino]-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]quinolin-3-yl]methyl]pyrazol-3-yl]-5-(8-chloroquinolin-6-yl)-3-cyanopyrazin-2-yl]amino]propanoylamino]benzoate
CID 156450041
1-[[5-[4-(3-chloroanilino)quinazolin-6-yl]pyridine-3-carbonyl]amino]-3-(2-piperidin-1-ylethyl)urea;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate
CID 158444190
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide;methane;methyl 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylate
CID 158870569
5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate
CID 159976193
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide;methane;methyl 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylate
CID 160017753
6-(3-Chloropyrazol-1-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(3-fluoropyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;ethyl 4-[4-(3-cyano-6-phenyl-5-quinolin-6-ylpyrazin-2-yl)-2-oxobutyl]benzoate;3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 160984180

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)quinolin-4-amine;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate?
The IUPAC name of 6-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)quinolin-4-amine;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate (CID 165079693) is 6-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)quinolin-4-amine;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate.
What is the SMILES notation for 6-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)quinolin-4-amine;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate?
The canonical SMILES for 6-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)quinolin-4-amine;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate is COC(=O)c1cncc(-c2ccc3nccc(Nc4cccc(Cl)c4)c3c2)c1.Clc1cccc(Nc2ccnc3ccc(-c4cncc(-c5nn[nH]n5)c4)cc23)c1.Clc1cccc(Nc2ccnc3ccc(-c4cncc(-n5cnnn5)c4)cc23)c1.N#Cc1cncc(-c2ccc3nccc(Nc4cccc(Cl)c4)c3c2)c1.Nc1cncc(-c2ccc3nccc(Nc4cccc(Cl)c4)c3c2)c1.
What is the InChIKey of 6-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)quinolin-4-amine;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate?
The InChIKey is UXJYUKIMQDPKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2.2C21H14ClN7.C21H13ClN4.C20H15ClN4/c1-28-22(27)16-9-15(12-24-13-16)14-5-6-20-19(10-14)21(7-8-25-20)26-18-4-2-3-17(23)11-18;22-16-2-1-3-17(10-16)26-21-6-7-24-20-5-4-14(9-19(20)21)15-8-18(12-23-11-15)29-13-25-27-28-29;22-16-2-1-3-17(10-16)25-20-6-7-24-19-5-4-13(9-18(19)20)14-8-15(12-23-11-14)21-26-28-29-27-21;22-17-2-1-3-18(10-17)26-21-6-7-25-20-5-4-15(9-19(20)21)16-8-14(11-23)12-24-13-16;21-15-2-1-3-17(10-15)25-20-6-7-24-19-5-4-13(9-18(19)20)14-8-16(22)12-23-11-14/h2-13H,1H3,(H,25,26);1-13H,(H,24,26);1-12H,(H,24,25)(H,26,27,28,29);1-10,12-13H,(H,25,26);1-12H,22H2,(H,24,25).
What are the key properties of 6-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)quinolin-4-amine;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate?
6-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)quinolin-4-amine;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate has a molecular weight of 1893.17 g/mol, XLogP of 25.87, 18 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)quinolin-4-amine;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate is sourced from PubChem (CID 165079693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).