1-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)pyrrolidin-2-one

C16H16N4O — CID 154974464

IUPAC1-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc2c(c1)NCc1cccnc1N2
InChIInChI=1S/C16H16N4O/c21-15-4-2-8-20(15)12-5-6-13-14(9-12)18-10-11-3-1-7-17-16(11)19-13/h1,3,5-7,9,18H,2,4,8,10H2,(H,17,19)
InChIKeyWHYCQYRPBVYHPB-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.88
Rot. Bonds1

About 1-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)pyrrolidin-2-one

1-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)pyrrolidin-2-one (PubChem CID 154974464) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)pyrrolidin-2-one
PubChem CID154974464
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc2c(c1)NCc1cccnc1N2
InChIInChI=1S/C16H16N4O/c21-15-4-2-8-20(15)12-5-6-13-14(9-12)18-10-11-3-1-7-17-16(11)19-13/h1,3,5-7,9,18H,2,4,8,10H2,(H,17,19)
InChIKeyWHYCQYRPBVYHPB-UHFFFAOYSA-N
XLogP2.88
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

8-bromo-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine
CID 121379663
8-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine
CID 121389643
8-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-3-oxa-8-azabicyclo[3.2.1]octane;molecular hydrogen
CID 145094752
(1S)-5-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-1-methyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 146175096
4-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-2-pyridin-3-ylmorpholine
CID 154974491
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(2,3-dihydro-1H-isoindol-5-yl)pyrrolidin-2-one;hydrochloride
CID 68824082
1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 70517179
8-[(3R)-oxan-3-yl]-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine
CID 125494862
1-(3,5-dipyridin-2-ylphenyl)pyrrolidin-2-one
CID 172517347
1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one
CID 175851778
1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one
CID 166609012

Frequently Asked Questions

What is the IUPAC name of 1-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)pyrrolidin-2-one?
The IUPAC name of 1-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)pyrrolidin-2-one (CID 154974464) is 1-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)pyrrolidin-2-one is O=C1CCCN1c1ccc2c(c1)NCc1cccnc1N2.
What is the InChIKey of 1-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)pyrrolidin-2-one?
The InChIKey is WHYCQYRPBVYHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c21-15-4-2-8-20(15)12-5-6-13-14(9-12)18-10-11-3-1-7-17-16(11)19-13/h1,3,5-7,9,18H,2,4,8,10H2,(H,17,19).
What are the key properties of 1-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)pyrrolidin-2-one?
1-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)pyrrolidin-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)pyrrolidin-2-one is sourced from PubChem (CID 154974464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).