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

C17H20N4O — CID 109338531

IUPAC6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(N2CCCc3ccccc32)ncn1
InChIInChI=1S/C17H20N4O/c1-2-9-18-17(22)14-11-16(20-12-19-14)21-10-5-7-13-6-3-4-8-15(13)21/h3-4,6,8,11-12H,2,5,7,9-10H2,1H3,(H,18,22)
InChIKeySVWQHMIACDSACP-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.70
Rot. Bonds4

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

6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide (PubChem CID 109338531) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide
PubChem CID109338531
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(N2CCCc3ccccc32)ncn1
InChIInChI=1S/C17H20N4O/c1-2-9-18-17(22)14-11-16(20-12-19-14)21-10-5-7-13-6-3-4-8-15(13)21/h3-4,6,8,11-12H,2,5,7,9-10H2,1H3,(H,18,22)
InChIKeySVWQHMIACDSACP-UHFFFAOYSA-N
XLogP2.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide
CID 109342051
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348421
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356271
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319150
6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348179
[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341707
6-(2,3-dihydroindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109352252
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205740
N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109340038
N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109320696
6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109356545
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213564

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide (CID 109338531) is 6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(N2CCCc3ccccc32)ncn1.
What is the InChIKey of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide?
The InChIKey is SVWQHMIACDSACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-2-9-18-17(22)14-11-16(20-12-19-14)21-10-5-7-13-6-3-4-8-15(13)21/h3-4,6,8,11-12H,2,5,7,9-10H2,1H3,(H,18,22).
What are the key properties of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide?
6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109338531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).