7-methoxy-4-(4-pyrazol-1-ylanilino)quinoline-6-carboxamide

C20H17N5O2 — CID 166521152

IUPAC7-methoxy-4-(4-pyrazol-1-ylanilino)quinoline-6-carboxamide
SMILESCOc1cc2nccc(Nc3ccc(-n4cccn4)cc3)c2cc1C(N)=O
InChIInChI=1S/C20H17N5O2/c1-27-19-12-18-15(11-16(19)20(21)26)17(7-9-22-18)24-13-3-5-14(6-4-13)25-10-2-8-23-25/h2-12H,1H3,(H2,21,26)(H,22,24)
InChIKeySOTVDCUBYZNDSP-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.27
Rot. Bonds5

About 7-methoxy-4-(4-pyrazol-1-ylanilino)quinoline-6-carboxamide

7-methoxy-4-(4-pyrazol-1-ylanilino)quinoline-6-carboxamide (PubChem CID 166521152) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 7-methoxy-4-(4-pyrazol-1-ylanilino)quinoline-6-carboxamide.

Molecular Properties

Compound Name7-methoxy-4-(4-pyrazol-1-ylanilino)quinoline-6-carboxamide
PubChem CID166521152
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name7-methoxy-4-(4-pyrazol-1-ylanilino)quinoline-6-carboxamide
SMILESCOc1cc2nccc(Nc3ccc(-n4cccn4)cc3)c2cc1C(N)=O
InChIInChI=1S/C20H17N5O2/c1-27-19-12-18-15(11-16(19)20(21)26)17(7-9-22-18)24-13-3-5-14(6-4-13)25-10-2-8-23-25/h2-12H,1H3,(H2,21,26)(H,22,24)
InChIKeySOTVDCUBYZNDSP-UHFFFAOYSA-N
XLogP3.27
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-7-methoxyquinoline-6-carboxamide
CID 142410696
4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylanilino]-7-methoxyquinoline-6-carboxamide
CID 142410697
4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide
CID 50877965
(2R)-2-[(6-carbamoyl-7-methoxyquinolin-4-yl)amino]-3-[[(2R)-2-[(6-carbamoyl-7-methoxyquinolin-4-yl)amino]-2-carboxyethyl]disulfanyl]propanoic acid
CID 118753337
1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone
CID 53264744
2-[[2-[(6-carbamoyl-7-methoxyquinolin-4-yl)amino]-3-sulfanylpropanoyl]amino]acetic acid
CID 155543754
N'-[6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]-N-(4-fluorophenyl)propanediamide
CID 118612193
N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
CID 22732263
4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide
CID 166095714
3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
CID 22646651
N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide
CID 44532199
4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 141404312

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(4-pyrazol-1-ylanilino)quinoline-6-carboxamide?
The IUPAC name of 7-methoxy-4-(4-pyrazol-1-ylanilino)quinoline-6-carboxamide (CID 166521152) is 7-methoxy-4-(4-pyrazol-1-ylanilino)quinoline-6-carboxamide.
What is the SMILES notation for 7-methoxy-4-(4-pyrazol-1-ylanilino)quinoline-6-carboxamide?
The canonical SMILES for 7-methoxy-4-(4-pyrazol-1-ylanilino)quinoline-6-carboxamide is COc1cc2nccc(Nc3ccc(-n4cccn4)cc3)c2cc1C(N)=O.
What is the InChIKey of 7-methoxy-4-(4-pyrazol-1-ylanilino)quinoline-6-carboxamide?
The InChIKey is SOTVDCUBYZNDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-27-19-12-18-15(11-16(19)20(21)26)17(7-9-22-18)24-13-3-5-14(6-4-13)25-10-2-8-23-25/h2-12H,1H3,(H2,21,26)(H,22,24).
What are the key properties of 7-methoxy-4-(4-pyrazol-1-ylanilino)quinoline-6-carboxamide?
7-methoxy-4-(4-pyrazol-1-ylanilino)quinoline-6-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(4-pyrazol-1-ylanilino)quinoline-6-carboxamide is sourced from PubChem (CID 166521152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).