2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one

C32H32N2O3 — CID 54779981

IUPAC2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1cc(C2Nc3ccccc3C(=O)N2CCc2ccccc2)ccc1OCCCc1ccccc1
InChIInChI=1S/C32H32N2O3/c1-36-30-23-26(18-19-29(30)37-22-10-15-24-11-4-2-5-12-24)31-33-28-17-9-8-16-27(28)32(35)34(31)21-20-25-13-6-3-7-14-25/h2-9,11-14,16-19,23,31,33H,10,15,20-22H2,1H3
InChIKeyRIZUBLVXUMNZKM-UHFFFAOYSA-N
MW492.62 g/mol
LogP6.52
Rot. Bonds10

About 2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one

2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54779981) has the molecular formula C32H32N2O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is 2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
PubChem CID54779981
Molecular FormulaC32H32N2O3
Molecular Weight492.62 g/mol
Exact Mass492.24
IUPAC Name2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1cc(C2Nc3ccccc3C(=O)N2CCc2ccccc2)ccc1OCCCc1ccccc1
InChIInChI=1S/C32H32N2O3/c1-36-30-23-26(18-19-29(30)37-22-10-15-24-11-4-2-5-12-24)31-33-28-17-9-8-16-27(28)32(35)34(31)21-20-25-13-6-3-7-14-25/h2-9,11-14,16-19,23,31,33H,10,15,20-22H2,1H3
InChIKeyRIZUBLVXUMNZKM-UHFFFAOYSA-N
XLogP6.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54779965
3-butan-2-yl-2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54779922
(2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009105
2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 54778229
N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 9009141
2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one
CID 54779970
3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778948
(2S)-2-(3,5-dimethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,2-dihydroquinazolin-4-one
CID 9007084
2-(3-chlorophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 54779414
(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 743586
3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778763
2-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 54777616

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one (CID 54779981) is 2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one is COc1cc(C2Nc3ccccc3C(=O)N2CCc2ccccc2)ccc1OCCCc1ccccc1.
What is the InChIKey of 2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is RIZUBLVXUMNZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O3/c1-36-30-23-26(18-19-29(30)37-22-10-15-24-11-4-2-5-12-24)31-33-28-17-9-8-16-27(28)32(35)34(31)21-20-25-13-6-3-7-14-25/h2-9,11-14,16-19,23,31,33H,10,15,20-22H2,1H3.
What are the key properties of 2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 492.62 g/mol, XLogP of 6.52, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54779981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).