6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide

C19H19N3O4 — CID 10269479

IUPAC6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3cccc(CO)c3C)c2cc1O
InChIInChI=1S/C19H19N3O4/c1-10-11(9-23)4-3-5-14(10)22-18-12-6-16(24)17(26-2)7-15(12)21-8-13(18)19(20)25/h3-8,23-24H,9H2,1-2H3,(H2,20,25)(H,21,22)
InChIKeyCAGYKCOTGKSBER-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.59
Rot. Bonds5

About 6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide

6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide (PubChem CID 10269479) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide
PubChem CID10269479
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3cccc(CO)c3C)c2cc1O
InChIInChI=1S/C19H19N3O4/c1-10-11(9-23)4-3-5-14(10)22-18-12-6-16(24)17(26-2)7-15(12)21-8-13(18)19(20)25/h3-8,23-24H,9H2,1-2H3,(H2,20,25)(H,21,22)
InChIKeyCAGYKCOTGKSBER-UHFFFAOYSA-N
XLogP2.59
TPSA117.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxy-6-phenylmethoxyquinoline-3-carboxamide
CID 10114344
3-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-2-methylbenzoic acid
CID 22170278
4-[3-(aminomethyl)-2-methylanilino]-6,7-diethoxyquinoline-3-carboxamide
CID 11581983
7-[3-[(2S)-2,6-dimethylmorpholin-4-yl]propoxy]-4-[3-(hydroxymethyl)-2-methylanilino]-6-methoxyquinoline-3-carboxamide
CID 67550763
6-[2-(2-cyanoethylamino)ethoxy]-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 87747051
7-[3-[(2S)-2,6-dimethylmorpholin-2-yl]propoxy]-4-[3-(hydroxymethyl)-2-methylanilino]-6-methoxyquinoline-3-carboxamide
CID 67550766
6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide
CID 22170186
7-methoxy-4-(3-methoxy-2-methylanilino)-6-[2-(propan-2-ylamino)ethoxy]quinoline-3-carboxamide
CID 22170229
7-[3-(diethylamino)propoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide
CID 22170238
7-(3-cyanopropoxy)-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide
CID 69238648
4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide
CID 22170241
7-(3-aminopropoxy)-4-(2-ethylanilino)-6-methoxyquinoline-3-carboxamide
CID 10178758

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide?
The IUPAC name of 6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide (CID 10269479) is 6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide.
What is the SMILES notation for 6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide?
The canonical SMILES for 6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide is COc1cc2ncc(C(N)=O)c(Nc3cccc(CO)c3C)c2cc1O.
What is the InChIKey of 6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide?
The InChIKey is CAGYKCOTGKSBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-10-11(9-23)4-3-5-14(10)22-18-12-6-16(24)17(26-2)7-15(12)21-8-13(18)19(20)25/h3-8,23-24H,9H2,1-2H3,(H2,20,25)(H,21,22).
What are the key properties of 6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide?
6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 10269479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).