2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-4-carbonitrile

C21H21N5O2 — CID 138594809

IUPAC2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-4-carbonitrile
SMILESN#Cc1cccc2c1C1(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC1)C(=O)N2
InChIInChI=1S/C21H21N5O2/c22-12-13-4-3-7-16-17(13)21(19(28)23-16)8-10-26(11-9-21)20-24-15-6-2-1-5-14(15)18(27)25-20/h3-4,7H,1-2,5-6,8-11H2,(H,23,28)(H,24,25,27)
InChIKeyKMOJQLGIBUUKKE-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.01
Rot. Bonds1

About 2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-4-carbonitrile

2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-4-carbonitrile (PubChem CID 138594809) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-4-carbonitrile.

Molecular Properties

Compound Name2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-4-carbonitrile
PubChem CID138594809
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-4-carbonitrile
SMILESN#Cc1cccc2c1C1(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC1)C(=O)N2
InChIInChI=1S/C21H21N5O2/c22-12-13-4-3-7-16-17(13)21(19(28)23-16)8-10-26(11-9-21)20-24-15-6-2-1-5-14(15)18(27)25-20/h3-4,7H,1-2,5-6,8-11H2,(H,23,28)(H,24,25,27)
InChIKeyKMOJQLGIBUUKKE-UHFFFAOYSA-N
XLogP2.01
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-4-carbonitrile 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

2-[4,6-Difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetonitrile
CID 138594198
4,6-Difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-1-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-2-one
CID 155534087
2-[4-[4-(2-Oxo-1,3,4,5-tetrahydrobenzo[cd]indol-2a-yl)butyl]piperazin-1-yl]benzonitrile
CID 10811746
2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594414
1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-carbonitrile
CID 138594467
2-(4-fluorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594472
2-[1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594506
6-chloro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 138594528
4,6-Difluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 138594558
4-chloro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 138594607
4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 138594628
6-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 138594645

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-4-carbonitrile?
The IUPAC name of 2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-4-carbonitrile (CID 138594809) is 2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-4-carbonitrile.
What is the SMILES notation for 2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-4-carbonitrile?
The canonical SMILES for 2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-4-carbonitrile is N#Cc1cccc2c1C1(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC1)C(=O)N2.
What is the InChIKey of 2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-4-carbonitrile?
The InChIKey is KMOJQLGIBUUKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c22-12-13-4-3-7-16-17(13)21(19(28)23-16)8-10-26(11-9-21)20-24-15-6-2-1-5-14(15)18(27)25-20/h3-4,7H,1-2,5-6,8-11H2,(H,23,28)(H,24,25,27).
What are the key properties of 2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-4-carbonitrile?
2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-4-carbonitrile has a molecular weight of 375.43 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-4-carbonitrile is sourced from PubChem (CID 138594809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).