N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide

C21H19ClN4O — CID 109266318

IUPACN-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cnc(N2CCCc3ccccc32)nc1
InChIInChI=1S/C21H19ClN4O/c1-14-17(22)8-4-9-18(14)25-20(27)16-12-23-21(24-13-16)26-11-5-7-15-6-2-3-10-19(15)26/h2-4,6,8-10,12-13H,5,7,11H2,1H3,(H,25,27)
InChIKeyBLQXFJPOLUECOZ-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.78
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide

N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109266318) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
PubChem CID109266318
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cnc(N2CCCc3ccccc32)nc1
InChIInChI=1S/C21H19ClN4O/c1-14-17(22)8-4-9-18(14)25-20(27)16-12-23-21(24-13-16)26-11-5-7-15-6-2-3-10-19(15)26/h2-4,6,8-10,12-13H,5,7,11H2,1H3,(H,25,27)
InChIKeyBLQXFJPOLUECOZ-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

N-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
CID 109266359
N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266156
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
CID 109266324
N-(3-chloro-2-methylphenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
CID 109108144
N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266162
N-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109057097
(2R)-N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 9249760
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313707
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268651
2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109266150
2-(2,3-dihydroindol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109266221
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 84570395

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide (CID 109266318) is N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cnc(N2CCCc3ccccc32)nc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is BLQXFJPOLUECOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c1-14-17(22)8-4-9-18(14)25-20(27)16-12-23-21(24-13-16)26-11-5-7-15-6-2-3-10-19(15)26/h2-4,6,8-10,12-13H,5,7,11H2,1H3,(H,25,27).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide?
N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide 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 N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).