2-[3-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one

C23H25N3O2 — CID 135405830

IUPAC2-[3-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one
SMILESCOc1ccccc1C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C23H25N3O2/c1-28-21-10-5-3-7-18(21)17-12-15-26(16-13-17)14-6-11-22-24-20-9-4-2-8-19(20)23(27)25-22/h2-5,7-10,12H,6,11,13-16H2,1H3,(H,24,25,27)
InChIKeyUBTXEYKSDRZHQU-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.65
Rot. Bonds6

About 2-[3-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one

2-[3-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one (PubChem CID 135405830) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[3-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one
PubChem CID135405830
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-[3-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one
SMILESCOc1ccccc1C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C23H25N3O2/c1-28-21-10-5-3-7-18(21)17-12-15-26(16-13-17)14-6-11-22-24-20-9-4-2-8-19(20)23(27)25-22/h2-5,7-10,12H,6,11,13-16H2,1H3,(H,24,25,27)
InChIKeyUBTXEYKSDRZHQU-UHFFFAOYSA-N
XLogP3.65
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-(4-Methoxyphenyl)quinazolin-4-ol
CID 135430309
3-(2-ethoxyphenyl)-2-(1-piperazinylmethyl)-4(3H)-quinazolinone
CID 11559627
2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one
CID 135484663
6-Methoxy-2-phenyl-3,4-dihydroquinazolin-4-one
CID 135539400
2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one
CID 135407310
N-(3-Methoxybenzyl)-4-Oxo-3,4-Dihydroquinazoline-2-Carboxamide
CID 135566625
2-(4-ethoxyphenyl)-3H-quinazolin-4-one
CID 135567247
4-methoxy-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzamide
CID 742907
2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-propylquinazolin-4(3H)-one
CID 11502343
3-Methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11516386
2-Ethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 11516387
2-(4-(1-cyclopentylpiperidin-4-yloxy)phenyl)-3-methylquinazolin-4(3H)-one
CID 11567596

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one (CID 135405830) is 2-[3-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one is COc1ccccc1C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of 2-[3-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one?
The InChIKey is UBTXEYKSDRZHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-28-21-10-5-3-7-18(21)17-12-15-26(16-13-17)14-6-11-22-24-20-9-4-2-8-19(20)23(27)25-22/h2-5,7-10,12H,6,11,13-16H2,1H3,(H,24,25,27).
What are the key properties of 2-[3-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one?
2-[3-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one has a molecular weight of 375.47 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135405830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).