(2R)-7-chloro-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

C17H17ClN2O4 — CID 94796382

IUPAC(2R)-7-chloro-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCOc1cc([C@H]2NC(=O)c3ccc(Cl)cc3N2)cc(OC)c1OC
InChIInChI=1S/C17H17ClN2O4/c1-22-13-6-9(7-14(23-2)15(13)24-3)16-19-12-8-10(18)4-5-11(12)17(21)20-16/h4-8,16,19H,1-3H3,(H,20,21)/t16-/m1/s1
InChIKeyACDCMDDRZIISME-MRXNPFEDSA-N
MW348.79 g/mol
LogP3.22
Rot. Bonds4

About (2R)-7-chloro-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

(2R)-7-chloro-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 94796382) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is (2R)-7-chloro-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2R)-7-chloro-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID94796382
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name(2R)-7-chloro-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCOc1cc([C@H]2NC(=O)c3ccc(Cl)cc3N2)cc(OC)c1OC
InChIInChI=1S/C17H17ClN2O4/c1-22-13-6-9(7-14(23-2)15(13)24-3)16-19-12-8-10(18)4-5-11(12)17(21)20-16/h4-8,16,19H,1-3H3,(H,20,21)/t16-/m1/s1
InChIKeyACDCMDDRZIISME-MRXNPFEDSA-N
XLogP3.22
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-6-nitro-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 7176829
2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 42915021
(2S)-2-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 25340665
6-chloro-2-[3-methoxy-4-[6-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]hexoxy]phenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 46208321
(2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 25335955
2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 17407034
(2S)-7-chloro-2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 94191280
6-chloro-2-[3-methoxy-4-[5-[2-methoxy-3-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenoxy]pentoxy]phenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 46209136
2-[4-[7-[2,6-dimethoxy-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]heptoxy]-3-methoxyphenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 89124416
6-chloro-2-[3-methoxy-4-[[[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenoxy]amino]methoxy]phenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 143999254
6-chloro-2-[3-methoxy-4-[(2E)-2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenoxy]iminoethoxy]phenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 143999209
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 (2R)-7-chloro-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of (2R)-7-chloro-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 94796382) is (2R)-7-chloro-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for (2R)-7-chloro-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for (2R)-7-chloro-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one is COc1cc([C@H]2NC(=O)c3ccc(Cl)cc3N2)cc(OC)c1OC.
What is the InChIKey of (2R)-7-chloro-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is ACDCMDDRZIISME-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-22-13-6-9(7-14(23-2)15(13)24-3)16-19-12-8-10(18)4-5-11(12)17(21)20-16/h4-8,16,19H,1-3H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-7-chloro-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
(2R)-7-chloro-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 348.79 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-chloro-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 94796382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).