4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide

C19H19N3O2 — CID 174510815

IUPAC4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide
SMILESCCc1cccc(Nc2c(C(N)=O)cnc3cc(OC)ccc23)c1
InChIInChI=1S/C19H19N3O2/c1-3-12-5-4-6-13(9-12)22-18-15-8-7-14(24-2)10-17(15)21-11-16(18)19(20)23/h4-11H,3H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyXDKZVACPKCTQAL-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.65
Rot. Bonds5

About 4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide

4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide (PubChem CID 174510815) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide
PubChem CID174510815
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide
SMILESCCc1cccc(Nc2c(C(N)=O)cnc3cc(OC)ccc23)c1
InChIInChI=1S/C19H19N3O2/c1-3-12-5-4-6-13(9-12)22-18-15-8-7-14(24-2)10-17(15)21-11-16(18)19(20)23/h4-11H,3H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyXDKZVACPKCTQAL-UHFFFAOYSA-N
XLogP3.65
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate
CID 709089
4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11269155
ethyl 4-(3-ethoxycarbonylanilino)-6-methoxyquinoline-3-carboxylate
CID 23885216
3-[(3-ethoxycarbonyl-6-methoxyquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790549
methyl 4-(3-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063443
4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11437948
4-(3-methoxyanilino)-6-N-(6-methoxy-3-pyridinyl)quinoline-3,6-dicarboxamide
CID 11374151
ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate
CID 102267989
3-[[3-carbamoyl-7-(2-methoxyphenyl)quinolin-4-yl]amino]benzoic acid
CID 57334340
ethyl 3-[[3-carbamoyl-7-(4-methyl-3-pyridinyl)quinolin-4-yl]amino]benzoate
CID 67514120
4-[3-(aminomethyl)anilino]-6-methylsulfonylquinoline-3-carboxamide
CID 44564774
3-[(7-bromo-3-carbamoylquinolin-4-yl)amino]-5-methoxybenzoic acid
CID 67513645

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide?
The IUPAC name of 4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide (CID 174510815) is 4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide.
What is the SMILES notation for 4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide?
The canonical SMILES for 4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide is CCc1cccc(Nc2c(C(N)=O)cnc3cc(OC)ccc23)c1.
What is the InChIKey of 4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide?
The InChIKey is XDKZVACPKCTQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-12-5-4-6-13(9-12)22-18-15-8-7-14(24-2)10-17(15)21-11-16(18)19(20)23/h4-11H,3H2,1-2H3,(H2,20,23)(H,21,22).
What are the key properties of 4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide?
4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 174510815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).