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

C23H25N3O2 — CID 135440349

IUPAC2-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one
SMILESCOc1ccc(C2=CCN(CCCc3nc4ccccc4c(=O)[nH]3)CC2)cc1
InChIInChI=1S/C23H25N3O2/c1-28-19-10-8-17(9-11-19)18-12-15-26(16-13-18)14-4-7-22-24-21-6-3-2-5-20(21)23(27)25-22/h2-3,5-6,8-12H,4,7,13-16H2,1H3,(H,24,25,27)
InChIKeyPOBSLTTZCFWOHP-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.65
Rot. Bonds6

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

2-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one (PubChem CID 135440349) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one
PubChem CID135440349
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one
SMILESCOc1ccc(C2=CCN(CCCc3nc4ccccc4c(=O)[nH]3)CC2)cc1
InChIInChI=1S/C23H25N3O2/c1-28-19-10-8-17(9-11-19)18-12-15-26(16-13-18)14-4-7-22-24-21-6-3-2-5-20(21)23(27)25-22/h2-3,5-6,8-12H,4,7,13-16H2,1H3,(H,24,25,27)
InChIKeyPOBSLTTZCFWOHP-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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one (CID 135440349) is 2-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one is COc1ccc(C2=CCN(CCCc3nc4ccccc4c(=O)[nH]3)CC2)cc1.
What is the InChIKey of 2-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one?
The InChIKey is POBSLTTZCFWOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-28-19-10-8-17(9-11-19)18-12-15-26(16-13-18)14-4-7-22-24-21-6-3-2-5-20(21)23(27)25-22/h2-3,5-6,8-12H,4,7,13-16H2,1H3,(H,24,25,27).
What are the key properties of 2-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one?
2-[3-[4-(4-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-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135440349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).