4-(2-bromoanilino)-6-methoxyquinoline-3-carboxamide;4-(2,4-dimethoxyanilino)-6-methoxyquinoline-3-carboxamide;6-methoxy-4-(2-methoxyanilino)quinoline-3-carboxamide

C54H50BrN9O9 — CID 159082888

IUPAC4-(2-bromoanilino)-6-methoxyquinoline-3-carboxamide;4-(2,4-dimethoxyanilino)-6-methoxyquinoline-3-carboxamide;6-methoxy-4-(2-methoxyanilino)quinoline-3-carboxamide
SMILESCOc1ccc(Nc2c(C(N)=O)cnc3ccc(OC)cc23)c(OC)c1.COc1ccc2ncc(C(N)=O)c(Nc3ccccc3Br)c2c1.COc1ccc2ncc(C(N)=O)c(Nc3ccccc3OC)c2c1
InChIInChI=1S/C19H19N3O4.C18H17N3O3.C17H14BrN3O2/c1-24-11-4-6-15-13(8-11)18(14(10-21-15)19(20)23)22-16-7-5-12(25-2)9-17(16)26-3;1-23-11-7-8-14-12(9-11)17(13(10-20-14)18(19)22)21-15-5-3-4-6-16(15)24-2;1-23-10-6-7-14-11(8-10)16(12(9-20-14)17(19)22)21-15-5-3-2-4-13(15)18/h4-10H,1-3H3,(H2,20,23)(H,21,22);3-10H,1-2H3,(H2,19,22)(H,20,21);2-9H,1H3,(H2,19,22)(H,20,21)
InChIKeyKBBPYVQXHVEIPZ-UHFFFAOYSA-N
MW1048.95 g/mol
LogP10.05
Rot. Bonds15

About 4-(2-bromoanilino)-6-methoxyquinoline-3-carboxamide;4-(2,4-dimethoxyanilino)-6-methoxyquinoline-3-carboxamide;6-methoxy-4-(2-methoxyanilino)quinoline-3-carboxamide

4-(2-bromoanilino)-6-methoxyquinoline-3-carboxamide;4-(2,4-dimethoxyanilino)-6-methoxyquinoline-3-carboxamide;6-methoxy-4-(2-methoxyanilino)quinoline-3-carboxamide (PubChem CID 159082888) has the molecular formula C54H50BrN9O9 and a molecular weight of 1048.95 g/mol. Its IUPAC name is 4-(2-bromoanilino)-6-methoxyquinoline-3-carboxamide;4-(2,4-dimethoxyanilino)-6-methoxyquinoline-3-carboxamide;6-methoxy-4-(2-methoxyanilino)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2-bromoanilino)-6-methoxyquinoline-3-carboxamide;4-(2,4-dimethoxyanilino)-6-methoxyquinoline-3-carboxamide;6-methoxy-4-(2-methoxyanilino)quinoline-3-carboxamide
PubChem CID159082888
Molecular FormulaC54H50BrN9O9
Molecular Weight1048.95 g/mol
Exact Mass1047.29
IUPAC Name4-(2-bromoanilino)-6-methoxyquinoline-3-carboxamide;4-(2,4-dimethoxyanilino)-6-methoxyquinoline-3-carboxamide;6-methoxy-4-(2-methoxyanilino)quinoline-3-carboxamide
SMILESCOc1ccc(Nc2c(C(N)=O)cnc3ccc(OC)cc23)c(OC)c1.COc1ccc2ncc(C(N)=O)c(Nc3ccccc3Br)c2c1.COc1ccc2ncc(C(N)=O)c(Nc3ccccc3OC)c2c1
InChIInChI=1S/C19H19N3O4.C18H17N3O3.C17H14BrN3O2/c1-24-11-4-6-15-13(8-11)18(14(10-21-15)19(20)23)22-16-7-5-12(25-2)9-17(16)26-3;1-23-11-7-8-14-12(9-11)17(13(10-20-14)18(19)22)21-15-5-3-4-6-16(15)24-2;1-23-10-6-7-14-11(8-10)16(12(9-20-14)17(19)22)21-15-5-3-2-4-13(15)18/h4-10H,1-3H3,(H2,20,23)(H,21,22);3-10H,1-2H3,(H2,19,22)(H,20,21);2-9H,1H3,(H2,19,22)(H,20,21)
InChIKeyKBBPYVQXHVEIPZ-UHFFFAOYSA-N
XLogP10.05
TPSA259.41 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms73
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001048.95
LogP ≤ 510.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 4-(2-bromoanilino)-6-methoxyquinoline-3-carboxamide;4-(2,4-dimethoxyanilino)-6-methoxyquinoline-3-carboxamide;6-methoxy-4-(2-methoxyanilino)quinoline-3-carboxamide with MolForge

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Related Compounds

6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide
CID 10155530
4-(4-hydroxy-2-methylanilino)-6-methoxyquinoline-3-carboxamide
CID 22170262
4-(4-chloro-2-methylanilino)-6-methoxyquinoline-3-carboxamide
CID 22170322
4-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 10116729
4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 18590638
6-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 4053129
3-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-2-methylbenzoic acid
CID 22170278
[6-chloro-4-(2,4-dimethoxyanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53335880
4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide
CID 10222250
methyl 4-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-3-methylbenzoate
CID 22170299
4-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-3-methylbenzoic acid
CID 22170208
2-amino-5-(2-methoxyanilino)pyridine-4-carboxamide
CID 114194675

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoanilino)-6-methoxyquinoline-3-carboxamide;4-(2,4-dimethoxyanilino)-6-methoxyquinoline-3-carboxamide;6-methoxy-4-(2-methoxyanilino)quinoline-3-carboxamide?
The IUPAC name of 4-(2-bromoanilino)-6-methoxyquinoline-3-carboxamide;4-(2,4-dimethoxyanilino)-6-methoxyquinoline-3-carboxamide;6-methoxy-4-(2-methoxyanilino)quinoline-3-carboxamide (CID 159082888) is 4-(2-bromoanilino)-6-methoxyquinoline-3-carboxamide;4-(2,4-dimethoxyanilino)-6-methoxyquinoline-3-carboxamide;6-methoxy-4-(2-methoxyanilino)quinoline-3-carboxamide.
What is the SMILES notation for 4-(2-bromoanilino)-6-methoxyquinoline-3-carboxamide;4-(2,4-dimethoxyanilino)-6-methoxyquinoline-3-carboxamide;6-methoxy-4-(2-methoxyanilino)quinoline-3-carboxamide?
The canonical SMILES for 4-(2-bromoanilino)-6-methoxyquinoline-3-carboxamide;4-(2,4-dimethoxyanilino)-6-methoxyquinoline-3-carboxamide;6-methoxy-4-(2-methoxyanilino)quinoline-3-carboxamide is COc1ccc(Nc2c(C(N)=O)cnc3ccc(OC)cc23)c(OC)c1.COc1ccc2ncc(C(N)=O)c(Nc3ccccc3Br)c2c1.COc1ccc2ncc(C(N)=O)c(Nc3ccccc3OC)c2c1.
What is the InChIKey of 4-(2-bromoanilino)-6-methoxyquinoline-3-carboxamide;4-(2,4-dimethoxyanilino)-6-methoxyquinoline-3-carboxamide;6-methoxy-4-(2-methoxyanilino)quinoline-3-carboxamide?
The InChIKey is KBBPYVQXHVEIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4.C18H17N3O3.C17H14BrN3O2/c1-24-11-4-6-15-13(8-11)18(14(10-21-15)19(20)23)22-16-7-5-12(25-2)9-17(16)26-3;1-23-11-7-8-14-12(9-11)17(13(10-20-14)18(19)22)21-15-5-3-4-6-16(15)24-2;1-23-10-6-7-14-11(8-10)16(12(9-20-14)17(19)22)21-15-5-3-2-4-13(15)18/h4-10H,1-3H3,(H2,20,23)(H,21,22);3-10H,1-2H3,(H2,19,22)(H,20,21);2-9H,1H3,(H2,19,22)(H,20,21).
What are the key properties of 4-(2-bromoanilino)-6-methoxyquinoline-3-carboxamide;4-(2,4-dimethoxyanilino)-6-methoxyquinoline-3-carboxamide;6-methoxy-4-(2-methoxyanilino)quinoline-3-carboxamide?
4-(2-bromoanilino)-6-methoxyquinoline-3-carboxamide;4-(2,4-dimethoxyanilino)-6-methoxyquinoline-3-carboxamide;6-methoxy-4-(2-methoxyanilino)quinoline-3-carboxamide has a molecular weight of 1048.95 g/mol, XLogP of 10.05, 15 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoanilino)-6-methoxyquinoline-3-carboxamide;4-(2,4-dimethoxyanilino)-6-methoxyquinoline-3-carboxamide;6-methoxy-4-(2-methoxyanilino)quinoline-3-carboxamide is sourced from PubChem (CID 159082888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).