(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

C23H22N2O3 — CID 28773010

IUPAC(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCCOc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCc1ccccc1
InChIInChI=1S/C23H22N2O3/c1-2-27-21-14-17(12-13-20(21)28-15-16-8-4-3-5-9-16)22-24-19-11-7-6-10-18(19)23(26)25-22/h3-14,22,24H,2,15H2,1H3,(H,25,26)/t22-/m0/s1
InChIKeyWSNAERMGCNKDAT-QFIPXVFZSA-N
MW374.44 g/mol
LogP4.52
Rot. Bonds6

About (2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 28773010) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID28773010
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCCOc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCc1ccccc1
InChIInChI=1S/C23H22N2O3/c1-2-27-21-14-17(12-13-20(21)28-15-16-8-4-3-5-9-16)22-24-19-11-7-6-10-18(19)23(26)25-22/h3-14,22,24H,2,15H2,1H3,(H,25,26)/t22-/m0/s1
InChIKeyWSNAERMGCNKDAT-QFIPXVFZSA-N
XLogP4.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
CID 23763634
(2S,7R)-2-(3-ethoxy-4-phenylmethoxyphenyl)-7-methyl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 26876411
2-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
CID 3791606
2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 17407034
(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine
CID 171195092
2-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
CID 4315101
2-(3-chloro-4-prop-2-enoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 75419407
methyl 4-(3-ethoxy-4-phenylmethoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846296
ethyl (4S)-4-(3-ethoxy-4-phenylmethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7121539
ethyl (4R)-4-(3-ethoxy-4-phenylmethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7121538
1-[(6R)-6-(3-ethoxy-4-phenylmethoxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]ethanone
CID 124605450
2-[3-methoxy-4-[8-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]octoxy]phenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 89123021

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of (2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 28773010) is (2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for (2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for (2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one is CCOc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCc1ccccc1.
What is the InChIKey of (2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is WSNAERMGCNKDAT-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-2-27-21-14-17(12-13-20(21)28-15-16-8-4-3-5-9-16)22-24-19-11-7-6-10-18(19)23(26)25-22/h3-14,22,24H,2,15H2,1H3,(H,25,26)/t22-/m0/s1.
What are the key properties of (2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 374.44 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 28773010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).