(7S)-3,9-dihydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione

C17H13N3O4 — CID 24778407

IUPAC(7S)-3,9-dihydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
SMILESC[C@@H]1NC(=O)c2cc(O)ccc2-n2c1nc1c(O)cccc1c2=O
InChIInChI=1S/C17H13N3O4/c1-8-15-19-14-10(3-2-4-13(14)22)17(24)20(15)12-6-5-9(21)7-11(12)16(23)18-8/h2-8,21-22H,1H3,(H,18,23)/t8-/m0/s1
InChIKeyFNYZNOYSZSYMAX-QMMMGPOBSA-N
MW323.31 g/mol
LogP1.60
Rot. Bonds

About (7S)-3,9-dihydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione

(7S)-3,9-dihydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione (PubChem CID 24778407) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is (7S)-3,9-dihydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione.

Molecular Properties

Compound Name(7S)-3,9-dihydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
PubChem CID24778407
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC Name(7S)-3,9-dihydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
SMILESC[C@@H]1NC(=O)c2cc(O)ccc2-n2c1nc1c(O)cccc1c2=O
InChIInChI=1S/C17H13N3O4/c1-8-15-19-14-10(3-2-4-13(14)22)17(24)20(15)12-6-5-9(21)7-11(12)16(23)18-8/h2-8,21-22H,1H3,(H,18,23)/t8-/m0/s1
InChIKeyFNYZNOYSZSYMAX-QMMMGPOBSA-N
XLogP1.60
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (7S)-3,9-dihydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S)-3,9-dihydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione?
The IUPAC name of (7S)-3,9-dihydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione (CID 24778407) is (7S)-3,9-dihydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione.
What is the SMILES notation for (7S)-3,9-dihydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione?
The canonical SMILES for (7S)-3,9-dihydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione is C[C@@H]1NC(=O)c2cc(O)ccc2-n2c1nc1c(O)cccc1c2=O.
What is the InChIKey of (7S)-3,9-dihydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione?
The InChIKey is FNYZNOYSZSYMAX-QMMMGPOBSA-N. The full InChI is InChI=1S/C17H13N3O4/c1-8-15-19-14-10(3-2-4-13(14)22)17(24)20(15)12-6-5-9(21)7-11(12)16(23)18-8/h2-8,21-22H,1H3,(H,18,23)/t8-/m0/s1.
What are the key properties of (7S)-3,9-dihydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione?
(7S)-3,9-dihydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione has a molecular weight of 323.31 g/mol, XLogP of 1.60, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3,9-dihydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione is sourced from PubChem (CID 24778407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).