2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride

C24H31ClN4O — CID 68857495

IUPAC2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCCCCc1nc2ccccn2c(=O)c1-c1ccc(N(C)C2CCCNC2)cc1.Cl
InChIInChI=1S/C24H30N4O.ClH/c1-3-4-9-21-23(24(29)28-16-6-5-10-22(28)26-21)18-11-13-19(14-12-18)27(2)20-8-7-15-25-17-20;/h5-6,10-14,16,20,25H,3-4,7-9,15,17H2,1-2H3;1H
InChIKeyCKWOMZABDIWVPN-UHFFFAOYSA-N
MW426.99 g/mol
LogP4.31
Rot. Bonds6

About 2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride

2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 68857495) has the molecular formula C24H31ClN4O and a molecular weight of 426.99 g/mol. Its IUPAC name is 2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID68857495
Molecular FormulaC24H31ClN4O
Molecular Weight426.99 g/mol
Exact Mass426.22
IUPAC Name2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCCCCc1nc2ccccn2c(=O)c1-c1ccc(N(C)C2CCCNC2)cc1.Cl
InChIInChI=1S/C24H30N4O.ClH/c1-3-4-9-21-23(24(29)28-16-6-5-10-22(28)26-21)18-11-13-19(14-12-18)27(2)20-8-7-15-25-17-20;/h5-6,10-14,16,20,25H,3-4,7-9,15,17H2,1-2H3;1H
InChIKeyCKWOMZABDIWVPN-UHFFFAOYSA-N
XLogP4.31
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.99
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride with MolForge

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Related Compounds

4(3H)-Quinazolinone, 2-((4-phenyl-1-piperazinyl)methyl)-
CID 135399488
{2-[(4,5-dihydro-1H-imidazol-2-ylmethyl)amino]phenyl}(1-piperidinyl)methanone
CID 22493231
2-[3-(4-Phenyl-piperazin-1-yl)-propyl]-3H-quinazolin-4-one
CID 135496179
2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethyl-6-(ethylamino)quinazolin-4-one
CID 148337113
2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-methylquinazolin-4-one
CID 153574202
2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylquinazolin-4-one
CID 153574348
11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxamide
CID 353192
2-({[2-(3,4-Dihydroquinolin-1(2h)-Yl)-2-Oxoethyl](Methyl)amino}methyl)quinazolin-4(1h)-One
CID 135566798
2-(4-Oxo-2-piperidin-1-ylmethyl-4H-quinazolin-3-yl)-N-phenyl-acetamide
CID 651008
11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-11H-pyrido[2,1-b]quinazoline-6-carboxamide
CID 3238635
2-(1-Piperazin-1-ylpropyl)-3-propylquinazolin-4-one
CID 4573226
N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride
CID 13222151

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 68857495) is 2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride is CCCCc1nc2ccccn2c(=O)c1-c1ccc(N(C)C2CCCNC2)cc1.Cl.
What is the InChIKey of 2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is CKWOMZABDIWVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O.ClH/c1-3-4-9-21-23(24(29)28-16-6-5-10-22(28)26-21)18-11-13-19(14-12-18)27(2)20-8-7-15-25-17-20;/h5-6,10-14,16,20,25H,3-4,7-9,15,17H2,1-2H3;1H.
What are the key properties of 2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 426.99 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 68857495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).