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

C20H24N4O — CID 109342051

IUPACN-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(N2CCCc3ccccc32)ncn1
InChIInChI=1S/C20H24N4O/c25-20(23-16-9-2-1-3-10-16)17-13-19(22-14-21-17)24-12-6-8-15-7-4-5-11-18(15)24/h4-5,7,11,13-14,16H,1-3,6,8-10,12H2,(H,23,25)
InChIKeyQOFSSNQKTKDXBR-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.62
Rot. Bonds3

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

N-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109342051) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide
PubChem CID109342051
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(N2CCCc3ccccc32)ncn1
InChIInChI=1S/C20H24N4O/c25-20(23-16-9-2-1-3-10-16)17-13-19(22-14-21-17)24-12-6-8-15-7-4-5-11-18(15)24/h4-5,7,11,13-14,16H,1-3,6,8-10,12H2,(H,23,25)
InChIKeyQOFSSNQKTKDXBR-UHFFFAOYSA-N
XLogP3.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboxamide
CID 109287476
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109204075
6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide
CID 109338531
6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109351828
[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341707
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356271
N-cyclohexyl-5-(2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109274719
N-cyclohexyl-6-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 84574195
N-cyclopentyl-5-(2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109273970
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348421
N-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109342025
N-cyclopropyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112854768

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide (CID 109342051) is N-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide is O=C(NC1CCCCC1)c1cc(N2CCCc3ccccc32)ncn1.
What is the InChIKey of N-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is QOFSSNQKTKDXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20(23-16-9-2-1-3-10-16)17-13-19(22-14-21-17)24-12-6-8-15-7-4-5-11-18(15)24/h4-5,7,11,13-14,16H,1-3,6,8-10,12H2,(H,23,25).
What are the key properties of N-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide?
N-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109342051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).