(7R)-7-hydroxy-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione

C16H11N3O3 — CID 162931041

IUPAC(7R)-7-hydroxy-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
SMILESO=C1N[C@H](O)c2nc3ccccc3c(=O)n2-c2ccccc21
InChIInChI=1S/C16H11N3O3/c20-14-10-6-2-4-8-12(10)19-13(15(21)18-14)17-11-7-3-1-5-9(11)16(19)22/h1-8,15,21H,(H,18,20)/t15-/m1/s1
InChIKeyJGMJFVSPCMATST-OAHLLOKOSA-N
MW293.28 g/mol
LogP1.12
Rot. Bonds

About (7R)-7-hydroxy-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione

(7R)-7-hydroxy-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione (PubChem CID 162931041) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is (7R)-7-hydroxy-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione.

Molecular Properties

Compound Name(7R)-7-hydroxy-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
PubChem CID162931041
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC Name(7R)-7-hydroxy-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
SMILESO=C1N[C@H](O)c2nc3ccccc3c(=O)n2-c2ccccc21
InChIInChI=1S/C16H11N3O3/c20-14-10-6-2-4-8-12(10)19-13(15(21)18-14)17-11-7-3-1-5-9(11)16(19)22/h1-8,15,21H,(H,18,20)/t15-/m1/s1
InChIKeyJGMJFVSPCMATST-OAHLLOKOSA-N
XLogP1.12
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (7R)-7-hydroxy-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione with MolForge

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Related Compounds

3-(5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl)propanamide
CID 162887957
(7R)-2,3-dihydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
CID 139584272
(2S)-5,13,21-triazapentacyclo[11.8.0.02,5.07,12.015,20]henicosa-1(21),7,9,11,15,17,19-heptaene-6,14-dione
CID 101260426
(7S)-7-[[3,3a-dihydroxy-2-(2-methylpropyl)-1-oxo-2,4-dihydroimidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
CID 70461951
(1S)-3,11,19,21-tetrazaheptacyclo[17.10.0.02,11.04,9.012,17.020,28.022,27]nonacosa-2,4,6,8,12,14,16,20(28),22,24,26-undecaene-10,18-dione
CID 155931502
(1S,4S)-1-hydroxy-4-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 170990373
6-(2-oxo-1,3-dihydroindol-3-yl)-6H-indolo[2,1-b]quinazolin-12-one
CID 147850768
(3R)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 776133
10-propyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13,15,17-heptaene-8,19-dione;2,2,2-trifluoroacetic acid
CID 46904442
2-(2-chlorophenyl)-3-(2-hydroxyphenyl)quinazolin-4-one
CID 716325
3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one
CID 71327930
(2S)-1-(12-oxoindolo[2,1-b]quinazolin-6-ylidene)pyrrolidin-1-ium-2-carboxylic acid
CID 138963543

Frequently Asked Questions

What is the IUPAC name of (7R)-7-hydroxy-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione?
The IUPAC name of (7R)-7-hydroxy-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione (CID 162931041) is (7R)-7-hydroxy-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione.
What is the SMILES notation for (7R)-7-hydroxy-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione?
The canonical SMILES for (7R)-7-hydroxy-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione is O=C1N[C@H](O)c2nc3ccccc3c(=O)n2-c2ccccc21.
What is the InChIKey of (7R)-7-hydroxy-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione?
The InChIKey is JGMJFVSPCMATST-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H11N3O3/c20-14-10-6-2-4-8-12(10)19-13(15(21)18-14)17-11-7-3-1-5-9(11)16(19)22/h1-8,15,21H,(H,18,20)/t15-/m1/s1.
What are the key properties of (7R)-7-hydroxy-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione?
(7R)-7-hydroxy-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione has a molecular weight of 293.28 g/mol, XLogP of 1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-hydroxy-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione is sourced from PubChem (CID 162931041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).