(7S)-2-amino-7-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one

C17H19N3O4 — CID 97183729

IUPAC(7S)-2-amino-7-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc([C@@H]2CC(=O)c3cnc(N)nc3C2)c(OC)c1OC
InChIInChI=1S/C17H19N3O4/c1-22-14-5-4-10(15(23-2)16(14)24-3)9-6-12-11(13(21)7-9)8-19-17(18)20-12/h4-5,8-9H,6-7H2,1-3H3,(H2,18,19,20)/t9-/m0/s1
InChIKeyMTVKBEYGFXOUPZ-VIFPVBQESA-N
MW329.36 g/mol
LogP2.00
Rot. Bonds4

About (7S)-2-amino-7-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one

(7S)-2-amino-7-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 97183729) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is (7S)-2-amino-7-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-2-amino-7-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID97183729
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name(7S)-2-amino-7-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc([C@@H]2CC(=O)c3cnc(N)nc3C2)c(OC)c1OC
InChIInChI=1S/C17H19N3O4/c1-22-14-5-4-10(15(23-2)16(14)24-3)9-6-12-11(13(21)7-9)8-19-17(18)20-12/h4-5,8-9H,6-7H2,1-3H3,(H2,18,19,20)/t9-/m0/s1
InChIKeyMTVKBEYGFXOUPZ-VIFPVBQESA-N
XLogP2.00
TPSA96.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 738767
3-methyl-5-(2,3,4-trimethoxyphenyl)cyclohex-2-en-1-one
CID 165355625
(7R)-2-amino-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 97183786
(7R)-7-(2,4-dimethoxyphenyl)-2-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 28629638
2-amino-7-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 58269385
(7S)-7-(2,4-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 40900113
(7R)-2-anilino-7-(2,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 28629810
7-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 16584968
N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 3834422
methyl 2,5-dioxo-7-(2,3,4-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 71668708
(7R)-2-anilino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41386591
(6R)-2-amino-6-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 27880750

Frequently Asked Questions

What is the IUPAC name of (7S)-2-amino-7-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-2-amino-7-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 97183729) is (7S)-2-amino-7-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-2-amino-7-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-2-amino-7-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is COc1ccc([C@@H]2CC(=O)c3cnc(N)nc3C2)c(OC)c1OC.
What is the InChIKey of (7S)-2-amino-7-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is MTVKBEYGFXOUPZ-VIFPVBQESA-N. The full InChI is InChI=1S/C17H19N3O4/c1-22-14-5-4-10(15(23-2)16(14)24-3)9-6-12-11(13(21)7-9)8-19-17(18)20-12/h4-5,8-9H,6-7H2,1-3H3,(H2,18,19,20)/t9-/m0/s1.
What are the key properties of (7S)-2-amino-7-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
(7S)-2-amino-7-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 329.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-amino-7-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 97183729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).