4-(3-chloro-2-methylanilino)-N-quinolin-8-ylpyridine-2-carboxamide

C22H17ClN4O — CID 109221140

IUPAC4-(3-chloro-2-methylanilino)-N-quinolin-8-ylpyridine-2-carboxamide
SMILESCc1c(Cl)cccc1Nc1ccnc(C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C22H17ClN4O/c1-14-17(23)7-3-8-18(14)26-16-10-12-24-20(13-16)22(28)27-19-9-2-5-15-6-4-11-25-21(15)19/h2-13H,1H3,(H,24,26)(H,27,28)
InChIKeyRXRSGKGRINDTDX-UHFFFAOYSA-N
MW388.86 g/mol
LogP5.59
Rot. Bonds4

About 4-(3-chloro-2-methylanilino)-N-quinolin-8-ylpyridine-2-carboxamide

4-(3-chloro-2-methylanilino)-N-quinolin-8-ylpyridine-2-carboxamide (PubChem CID 109221140) has the molecular formula C22H17ClN4O and a molecular weight of 388.86 g/mol. Its IUPAC name is 4-(3-chloro-2-methylanilino)-N-quinolin-8-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-methylanilino)-N-quinolin-8-ylpyridine-2-carboxamide
PubChem CID109221140
Molecular FormulaC22H17ClN4O
Molecular Weight388.86 g/mol
Exact Mass388.11
IUPAC Name4-(3-chloro-2-methylanilino)-N-quinolin-8-ylpyridine-2-carboxamide
SMILESCc1c(Cl)cccc1Nc1ccnc(C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C22H17ClN4O/c1-14-17(23)7-3-8-18(14)26-16-10-12-24-20(13-16)22(28)27-19-9-2-5-15-6-4-11-25-21(15)19/h2-13H,1H3,(H,24,26)(H,27,28)
InChIKeyRXRSGKGRINDTDX-UHFFFAOYSA-N
XLogP5.59
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.86
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109221716
4-hydrazinyl-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235747
N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109201456
N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109221912
4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109217470
methyl 3-[[2-[(3-chloro-2-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221110
N-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109210497
2-N-(3-methylphenyl)-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109091249
N-(3-chloro-2-methylphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
CID 109221115
piperidin-1-yl-[4-(quinolin-8-ylamino)-2-pyridinyl]methanone
CID 109204521
methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide
CID 177001630
4-(2-phenylethylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109213726

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylanilino)-N-quinolin-8-ylpyridine-2-carboxamide?
The IUPAC name of 4-(3-chloro-2-methylanilino)-N-quinolin-8-ylpyridine-2-carboxamide (CID 109221140) is 4-(3-chloro-2-methylanilino)-N-quinolin-8-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-methylanilino)-N-quinolin-8-ylpyridine-2-carboxamide?
The canonical SMILES for 4-(3-chloro-2-methylanilino)-N-quinolin-8-ylpyridine-2-carboxamide is Cc1c(Cl)cccc1Nc1ccnc(C(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of 4-(3-chloro-2-methylanilino)-N-quinolin-8-ylpyridine-2-carboxamide?
The InChIKey is RXRSGKGRINDTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O/c1-14-17(23)7-3-8-18(14)26-16-10-12-24-20(13-16)22(28)27-19-9-2-5-15-6-4-11-25-21(15)19/h2-13H,1H3,(H,24,26)(H,27,28).
What are the key properties of 4-(3-chloro-2-methylanilino)-N-quinolin-8-ylpyridine-2-carboxamide?
4-(3-chloro-2-methylanilino)-N-quinolin-8-ylpyridine-2-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylanilino)-N-quinolin-8-ylpyridine-2-carboxamide is sourced from PubChem (CID 109221140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).