3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-4-propan-2-yl-1,4-dihydroquinazolin-2-one

C23H30N4O — CID 10293058

IUPAC3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-4-propan-2-yl-1,4-dihydroquinazolin-2-one
SMILESCc1cccc(CN2CCC(N3C(=O)Nc4ccccc4C3C(C)C)CC2)n1
InChIInChI=1S/C23H30N4O/c1-16(2)22-20-9-4-5-10-21(20)25-23(28)27(22)19-11-13-26(14-12-19)15-18-8-6-7-17(3)24-18/h4-10,16,19,22H,11-15H2,1-3H3,(H,25,28)
InChIKeyRXHPZBIFYLVNRA-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.60
Rot. Bonds4

About 3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-4-propan-2-yl-1,4-dihydroquinazolin-2-one

3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-4-propan-2-yl-1,4-dihydroquinazolin-2-one (PubChem CID 10293058) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-4-propan-2-yl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-4-propan-2-yl-1,4-dihydroquinazolin-2-one
PubChem CID10293058
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-4-propan-2-yl-1,4-dihydroquinazolin-2-one
SMILESCc1cccc(CN2CCC(N3C(=O)Nc4ccccc4C3C(C)C)CC2)n1
InChIInChI=1S/C23H30N4O/c1-16(2)22-20-9-4-5-10-21(20)25-23(28)27(22)19-11-13-26(14-12-19)15-18-8-6-7-17(3)24-18/h4-10,16,19,22H,11-15H2,1-3H3,(H,25,28)
InChIKeyRXHPZBIFYLVNRA-UHFFFAOYSA-N
XLogP4.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-4-propan-2-yl-1,4-dihydroquinazolin-2-one with MolForge

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Related Compounds

Gsk163090
CID 11292933
PF-750
CID 25154868
N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide
CID 11515763
(2,3-dimethylquinolin-4-yl)-[4-(octahydro-2H-pyrido[1,2-a]-pyrazin-2-yl)phenyl]amine
CID 10045713
1-[3-[2-[4-(2-Methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-3-phenylurea
CID 11397149
1-Ethyl-3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]urea
CID 49850570
1-[3-[2-[4-(2-Methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-3-propylurea
CID 49850571
1-Tert-butyl-3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]urea
CID 49850668
1-(2-Fluorophenyl)-3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]urea
CID 49850669
1-(3-Fluorophenyl)-3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]urea
CID 49850670
1-(4-Fluorophenyl)-3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]urea
CID 49850671
1-[3-[2-[4-(2-Methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-diazinan-2-one
CID 49850769

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-4-propan-2-yl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-4-propan-2-yl-1,4-dihydroquinazolin-2-one (CID 10293058) is 3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-4-propan-2-yl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-4-propan-2-yl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-4-propan-2-yl-1,4-dihydroquinazolin-2-one is Cc1cccc(CN2CCC(N3C(=O)Nc4ccccc4C3C(C)C)CC2)n1.
What is the InChIKey of 3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-4-propan-2-yl-1,4-dihydroquinazolin-2-one?
The InChIKey is RXHPZBIFYLVNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-16(2)22-20-9-4-5-10-21(20)25-23(28)27(22)19-11-13-26(14-12-19)15-18-8-6-7-17(3)24-18/h4-10,16,19,22H,11-15H2,1-3H3,(H,25,28).
What are the key properties of 3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-4-propan-2-yl-1,4-dihydroquinazolin-2-one?
3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-4-propan-2-yl-1,4-dihydroquinazolin-2-one has a molecular weight of 378.52 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-4-propan-2-yl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 10293058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).