3-(5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl)propanamide

C19H16N4O3 — CID 162887957

IUPAC3-(5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl)propanamide
SMILESNC(=O)CCC1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O
InChIInChI=1S/C19H16N4O3/c20-16(24)10-9-14-17-21-13-7-3-1-5-11(13)19(26)23(17)15-8-4-2-6-12(15)18(25)22-14/h1-8,14H,9-10H2,(H2,20,24)(H,22,25)
InChIKeySKXHEWJKXKMUKV-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.44
Rot. Bonds3

About 3-(5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl)propanamide

3-(5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl)propanamide (PubChem CID 162887957) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-(5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl)propanamide.

Molecular Properties

Compound Name3-(5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl)propanamide
PubChem CID162887957
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name3-(5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl)propanamide
SMILESNC(=O)CCC1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O
InChIInChI=1S/C19H16N4O3/c20-16(24)10-9-14-17-21-13-7-3-1-5-11(13)19(26)23(17)15-8-4-2-6-12(15)18(25)22-14/h1-8,14H,9-10H2,(H2,20,24)(H,22,25)
InChIKeySKXHEWJKXKMUKV-UHFFFAOYSA-N
XLogP1.44
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl)propanamide with MolForge

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Related Compounds

(7R)-7-hydroxy-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
CID 162931041
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
(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
(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
15-methyl-10-propyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione
CID 46904447
(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
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 680931
19,20-difluoro-14-(2-methylpropyl)-1,13,16-triazapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-2,4,6,8,10,15,17,19,21-nonaene-12,23-dione
CID 46904486
6-(2-oxo-1,3-dihydroindol-3-yl)-6H-indolo[2,1-b]quinazolin-12-one
CID 147850768
(2S)-1-(12-oxoindolo[2,1-b]quinazolin-6-ylidene)pyrrolidin-1-ium-2-carboxylic acid
CID 138963543
10-[(4-hydroxyphenyl)methyl]-15-methyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione
CID 46904349

Frequently Asked Questions

What is the IUPAC name of 3-(5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl)propanamide?
The IUPAC name of 3-(5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl)propanamide (CID 162887957) is 3-(5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl)propanamide.
What is the SMILES notation for 3-(5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl)propanamide?
The canonical SMILES for 3-(5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl)propanamide is NC(=O)CCC1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O.
What is the InChIKey of 3-(5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl)propanamide?
The InChIKey is SKXHEWJKXKMUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c20-16(24)10-9-14-17-21-13-7-3-1-5-11(13)19(26)23(17)15-8-4-2-6-12(15)18(25)22-14/h1-8,14H,9-10H2,(H2,20,24)(H,22,25).
What are the key properties of 3-(5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl)propanamide?
3-(5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl)propanamide has a molecular weight of 348.36 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl)propanamide is sourced from PubChem (CID 162887957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).