[2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C21H19ClN4O — CID 109266246

IUPAC[2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc(Cl)cc1Nc1ncc(C(=O)N2CCCc3ccccc32)cn1
InChIInChI=1S/C21H19ClN4O/c1-14-8-9-17(22)11-18(14)25-21-23-12-16(13-24-21)20(27)26-10-4-6-15-5-2-3-7-19(15)26/h2-3,5,7-9,11-13H,4,6,10H2,1H3,(H,23,24,25)
InChIKeyHQWZQZQCWDANKS-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.78
Rot. Bonds3

About [2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 109266246) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is [2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID109266246
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name[2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc(Cl)cc1Nc1ncc(C(=O)N2CCCc3ccccc32)cn1
InChIInChI=1S/C21H19ClN4O/c1-14-8-9-17(22)11-18(14)25-21-23-12-16(13-24-21)20(27)26-10-4-6-15-5-2-3-7-19(15)26/h2-3,5,7-9,11-13H,4,6,10H2,1H3,(H,23,24,25)
InChIKeyHQWZQZQCWDANKS-UHFFFAOYSA-N
XLogP4.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone
CID 109265381
3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266253
[2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109262976
2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone
CID 109266071
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049544
3-chloro-1-(4-chlorophenyl)-4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylanilino]pyrrole-2,5-dione
CID 1407606
(2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 109265177
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109266278
[2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266122
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone
CID 109266139

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 109266246) is [2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc(Cl)cc1Nc1ncc(C(=O)N2CCCc3ccccc32)cn1.
What is the InChIKey of [2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is HQWZQZQCWDANKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c1-14-8-9-17(22)11-18(14)25-21-23-12-16(13-24-21)20(27)26-10-4-6-15-5-2-3-7-19(15)26/h2-3,5,7-9,11-13H,4,6,10H2,1H3,(H,23,24,25).
What are the key properties of [2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 378.86 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 109266246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).