(7S)-7-(2-hydroxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one

C19H23N4O2+ — CID 7445324

IUPAC(7S)-7-(2-hydroxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESC[NH+]1CCN(c2ncc3c(n2)C[C@H](c2ccccc2O)CC3=O)CC1
InChIInChI=1S/C19H22N4O2/c1-22-6-8-23(9-7-22)19-20-12-15-16(21-19)10-13(11-18(15)25)14-4-2-3-5-17(14)24/h2-5,12-13,24H,6-11H2,1H3/p+1/t13-/m0/s1
InChIKeyLDSYPMOQSVSRHU-ZDUSSCGKSA-O
MW339.42 g/mol
LogP0.43
Rot. Bonds2

About (7S)-7-(2-hydroxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one

(7S)-7-(2-hydroxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 7445324) has the molecular formula C19H23N4O2+ and a molecular weight of 339.42 g/mol. Its IUPAC name is (7S)-7-(2-hydroxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-7-(2-hydroxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID7445324
Molecular FormulaC19H23N4O2+
Molecular Weight339.42 g/mol
Exact Mass339.18
IUPAC Name(7S)-7-(2-hydroxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESC[NH+]1CCN(c2ncc3c(n2)C[C@H](c2ccccc2O)CC3=O)CC1
InChIInChI=1S/C19H22N4O2/c1-22-6-8-23(9-7-22)19-20-12-15-16(21-19)10-13(11-18(15)25)14-4-2-3-5-17(14)24/h2-5,12-13,24H,6-11H2,1H3/p+1/t13-/m0/s1
InChIKeyLDSYPMOQSVSRHU-ZDUSSCGKSA-O
XLogP0.43
TPSA70.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (7S)-7-(2-hydroxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

(7R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41026673
7-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 16584968
(7S)-7-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 28629651
(7R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41386820
4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
CID 16566970
(7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 42570579
2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 664565
(7S)-2-(4-ethylpiperazin-4-ium-1-yl)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 2035840
2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 155753361
(7S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 2019941
7-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 3162746
(7R)-7-(3,5-difluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 28629706

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(2-hydroxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-7-(2-hydroxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 7445324) is (7S)-7-(2-hydroxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-7-(2-hydroxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-7-(2-hydroxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one is C[NH+]1CCN(c2ncc3c(n2)C[C@H](c2ccccc2O)CC3=O)CC1.
What is the InChIKey of (7S)-7-(2-hydroxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is LDSYPMOQSVSRHU-ZDUSSCGKSA-O. The full InChI is InChI=1S/C19H22N4O2/c1-22-6-8-23(9-7-22)19-20-12-15-16(21-19)10-13(11-18(15)25)14-4-2-3-5-17(14)24/h2-5,12-13,24H,6-11H2,1H3/p+1/t13-/m0/s1.
What are the key properties of (7S)-7-(2-hydroxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
(7S)-7-(2-hydroxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 339.42 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2-hydroxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 7445324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).