N-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide

C20H16Cl2N4O — CID 109266359

IUPACN-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cnc(N2CCCc3ccccc32)nc1
InChIInChI=1S/C20H16Cl2N4O/c21-15-7-3-8-16(22)18(15)25-19(27)14-11-23-20(24-12-14)26-10-4-6-13-5-1-2-9-17(13)26/h1-3,5,7-9,11-12H,4,6,10H2,(H,25,27)
InChIKeyLSPVMRYQWYECSW-UHFFFAOYSA-N
MW399.28 g/mol
LogP5.12
Rot. Bonds3

About N-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide

N-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109266359) has the molecular formula C20H16Cl2N4O and a molecular weight of 399.28 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
PubChem CID109266359
Molecular FormulaC20H16Cl2N4O
Molecular Weight399.28 g/mol
Exact Mass398.07
IUPAC NameN-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cnc(N2CCCc3ccccc32)nc1
InChIInChI=1S/C20H16Cl2N4O/c21-15-7-3-8-16(22)18(15)25-19(27)14-11-23-20(24-12-14)26-10-4-6-13-5-1-2-9-17(13)26/h1-3,5,7-9,11-12H,4,6,10H2,(H,25,27)
InChIKeyLSPVMRYQWYECSW-UHFFFAOYSA-N
XLogP5.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.28
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
CID 109266318
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
CID 109266324
N-(2,6-dichlorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249509
N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266162
2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109266150
N-(4-bromophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266171
N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266156
N-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
CID 109162476
2-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylpyrimidine-5-carboxamide
CID 109262360
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109265866
2-(2,3-dihydroindol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109266221
N-(2,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
CID 109242657

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide (CID 109266359) is N-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide is O=C(Nc1c(Cl)cccc1Cl)c1cnc(N2CCCc3ccccc32)nc1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is LSPVMRYQWYECSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O/c21-15-7-3-8-16(22)18(15)25-19(27)14-11-23-20(24-12-14)26-10-4-6-13-5-1-2-9-17(13)26/h1-3,5,7-9,11-12H,4,6,10H2,(H,25,27).
What are the key properties of N-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide?
N-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 399.28 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).