3-(4-fluorophenyl)-2-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1,2-dihydroquinazolin-4-one

C27H26FN3O4 — CID 17431478

IUPAC3-(4-fluorophenyl)-2-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1,2-dihydroquinazolin-4-one
SMILESCOc1cc(C2Nc3ccccc3C(=O)N2c2ccc(F)cc2)ccc1OCC(=O)N1CCCC1
InChIInChI=1S/C27H26FN3O4/c1-34-24-16-18(8-13-23(24)35-17-25(32)30-14-4-5-15-30)26-29-22-7-3-2-6-21(22)27(33)31(26)20-11-9-19(28)10-12-20/h2-3,6-13,16,26,29H,4-5,14-15,17H2,1H3
InChIKeyWHBHBAFSZLFTOV-UHFFFAOYSA-N
MW475.52 g/mol
LogP4.61
Rot. Bonds6

About 3-(4-fluorophenyl)-2-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1,2-dihydroquinazolin-4-one

3-(4-fluorophenyl)-2-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1,2-dihydroquinazolin-4-one (PubChem CID 17431478) has the molecular formula C27H26FN3O4 and a molecular weight of 475.52 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1,2-dihydroquinazolin-4-one
PubChem CID17431478
Molecular FormulaC27H26FN3O4
Molecular Weight475.52 g/mol
Exact Mass475.19
IUPAC Name3-(4-fluorophenyl)-2-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1,2-dihydroquinazolin-4-one
SMILESCOc1cc(C2Nc3ccccc3C(=O)N2c2ccc(F)cc2)ccc1OCC(=O)N1CCCC1
InChIInChI=1S/C27H26FN3O4/c1-34-24-16-18(8-13-23(24)35-17-25(32)30-14-4-5-15-30)26-29-22-7-3-2-6-21(22)27(33)31(26)20-11-9-19(28)10-12-20/h2-3,6-13,16,26,29H,4-5,14-15,17H2,1H3
InChIKeyWHBHBAFSZLFTOV-UHFFFAOYSA-N
XLogP4.61
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)-2-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1,2-dihydroquinazolin-4-one with MolForge

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Related Compounds

(2S)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 40973072
2-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenoxy]acetonitrile
CID 9007360
(2S)-3-cyclopropyl-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 41219072
N-ethyl-2-[2-methoxy-4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 55355452
3-(4-chlorophenyl)-2-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-1,2-dihydroquinazolin-4-one
CID 23959783
2-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
CID 3791606
(2S)-3-(1,3-benzodioxol-5-yl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 38112608
(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131639
(2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007508
2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one
CID 54779970
4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 43000917
(2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006434

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-2-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1,2-dihydroquinazolin-4-one (CID 17431478) is 3-(4-fluorophenyl)-2-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1,2-dihydroquinazolin-4-one is COc1cc(C2Nc3ccccc3C(=O)N2c2ccc(F)cc2)ccc1OCC(=O)N1CCCC1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is WHBHBAFSZLFTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O4/c1-34-24-16-18(8-13-23(24)35-17-25(32)30-14-4-5-15-30)26-29-22-7-3-2-6-21(22)27(33)31(26)20-11-9-19(28)10-12-20/h2-3,6-13,16,26,29H,4-5,14-15,17H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
3-(4-fluorophenyl)-2-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 475.52 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 17431478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).