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

C21H23N5O — CID 138594467

IUPAC1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-carbonitrile
SMILESN#Cc1cccc2c1C1(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC1)CN2
InChIInChI=1S/C21H23N5O/c22-12-14-4-3-7-17-18(14)21(13-23-17)8-10-26(11-9-21)20-24-16-6-2-1-5-15(16)19(27)25-20/h3-4,7,23H,1-2,5-6,8-11,13H2,(H,24,25,27)
InChIKeyQIVMBVYEEIHHKY-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.48
Rot. Bonds1

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

1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-carbonitrile (PubChem CID 138594467) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-carbonitrile.

Molecular Properties

Compound Name1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-carbonitrile
PubChem CID138594467
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-carbonitrile
SMILESN#Cc1cccc2c1C1(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC1)CN2
InChIInChI=1S/C21H23N5O/c22-12-14-4-3-7-17-18(14)21(13-23-17)8-10-26(11-9-21)20-24-16-6-2-1-5-15(16)19(27)25-20/h3-4,7,23H,1-2,5-6,8-11,13H2,(H,24,25,27)
InChIKeyQIVMBVYEEIHHKY-UHFFFAOYSA-N
XLogP2.48
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594369
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
2-(4-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594385
2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594414
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
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
2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594732
4,6-difluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 138594747
1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 138594790
2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-4-carbonitrile
CID 138594809

Frequently Asked Questions

What is the IUPAC name of 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-carbonitrile?
The IUPAC name of 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-carbonitrile (CID 138594467) is 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-carbonitrile.
What is the SMILES notation for 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-carbonitrile?
The canonical SMILES for 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-carbonitrile is N#Cc1cccc2c1C1(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC1)CN2.
What is the InChIKey of 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-carbonitrile?
The InChIKey is QIVMBVYEEIHHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c22-12-14-4-3-7-17-18(14)21(13-23-17)8-10-26(11-9-21)20-24-16-6-2-1-5-15(16)19(27)25-20/h3-4,7,23H,1-2,5-6,8-11,13H2,(H,24,25,27).
What are the key properties of 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-carbonitrile?
1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-carbonitrile has a molecular weight of 361.45 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-carbonitrile is sourced from PubChem (CID 138594467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).