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

C23H24N4O — CID 135530844

IUPAC2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCC(N3CC=C(c4ccccc4)CC3)C2)nc2ccccc12
InChIInChI=1S/C23H24N4O/c28-22-20-8-4-5-9-21(20)24-23(25-22)27-15-12-19(16-27)26-13-10-18(11-14-26)17-6-2-1-3-7-17/h1-10,19H,11-16H2,(H,24,25,28)
InChIKeyGMELGVOWUOVYSE-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.29
Rot. Bonds3

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

2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one (PubChem CID 135530844) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one
PubChem CID135530844
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCC(N3CC=C(c4ccccc4)CC3)C2)nc2ccccc12
InChIInChI=1S/C23H24N4O/c28-22-20-8-4-5-9-21(20)24-23(25-22)27-15-12-19(16-27)26-13-10-18(11-14-26)17-6-2-1-3-7-17/h1-10,19H,11-16H2,(H,24,25,28)
InChIKeyGMELGVOWUOVYSE-UHFFFAOYSA-N
XLogP3.29
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one (CID 135530844) is 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one is O=c1[nH]c(N2CCC(N3CC=C(c4ccccc4)CC3)C2)nc2ccccc12.
What is the InChIKey of 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one?
The InChIKey is GMELGVOWUOVYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-22-20-8-4-5-9-21(20)24-23(25-22)27-15-12-19(16-27)26-13-10-18(11-14-26)17-6-2-1-3-7-17/h1-10,19H,11-16H2,(H,24,25,28).
What are the key properties of 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one?
2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one has a molecular weight of 372.47 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 135530844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).