2-phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one

C27H27N3O2 — CID 24948946

IUPAC2-phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C27H27N3O2/c31-27-24-11-4-5-12-25(24)28-26(21-9-2-1-3-10-21)30(27)22-13-15-23(16-14-22)32-20-8-19-29-17-6-7-18-29/h1-5,9-16H,6-8,17-20H2
InChIKeyQKYNIAXWTMUDKW-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.92
Rot. Bonds7

About 2-phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one

2-phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one (PubChem CID 24948946) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name2-phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
PubChem CID24948946
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name2-phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C27H27N3O2/c31-27-24-11-4-5-12-25(24)28-26(21-9-2-1-3-10-21)30(27)22-13-15-23(16-14-22)32-20-8-19-29-17-6-7-18-29/h1-5,9-16H,6-8,17-20H2
InChIKeyQKYNIAXWTMUDKW-UHFFFAOYSA-N
XLogP4.92
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Mk-0249
CID 11697697
MK-3134
CID 11973780
2-{2-[3-(4-Methoxyphenyl)-4-Oxo-3,4-Dihydroquinazolin-2-Yl]ethyl}-4-(Propan-2-Yloxy)-1h-Isoindole-1,3(2h)-Dione
CID 49821931
1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)-
CID 217632
2-[2-[3-(4-Methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 1366773
2-(4-ethoxyphenyl)-3H-quinazolin-4-one
CID 135567247
[4-[(E)-(9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-3-ylidene)methyl]phenyl] acetate
CID 11809733
2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-propylquinazolin-4(3H)-one
CID 11502343
2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-6-methoxy-3-methylquinazolin-4(3H)-one
CID 11502638
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-phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The IUPAC name of 2-phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one (CID 24948946) is 2-phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one.
What is the SMILES notation for 2-phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The canonical SMILES for 2-phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc(OCCCN2CCCC2)cc1.
What is the InChIKey of 2-phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The InChIKey is QKYNIAXWTMUDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c31-27-24-11-4-5-12-25(24)28-26(21-9-2-1-3-10-21)30(27)22-13-15-23(16-14-22)32-20-8-19-29-17-6-7-18-29/h1-5,9-16H,6-8,17-20H2.
What are the key properties of 2-phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
2-phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one has a molecular weight of 425.53 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one is sourced from PubChem (CID 24948946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).