4-(4-amino-5-hydroxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile

C20H19N5O2 — CID 135845139

IUPAC4-(4-amino-5-hydroxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile
SMILESN#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(O)cccc2N3)cc1
InChIInChI=1S/C20H19N5O2/c21-12-13-4-6-14(7-5-13)19(27)25-10-8-20(9-11-25)23-15-2-1-3-16(26)17(15)18(22)24-20/h1-7,23,26H,8-11H2,(H2,22,24)
InChIKeyCKXPAAJCRIZEOC-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.03
Rot. Bonds1

About 4-(4-amino-5-hydroxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile

4-(4-amino-5-hydroxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile (PubChem CID 135845139) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-(4-amino-5-hydroxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile.

Molecular Properties

Compound Name4-(4-amino-5-hydroxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile
PubChem CID135845139
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name4-(4-amino-5-hydroxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile
SMILESN#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(O)cccc2N3)cc1
InChIInChI=1S/C20H19N5O2/c21-12-13-4-6-14(7-5-13)19(27)25-10-8-20(9-11-25)23-15-2-1-3-16(26)17(15)18(22)24-20/h1-7,23,26H,8-11H2,(H2,22,24)
InChIKeyCKXPAAJCRIZEOC-UHFFFAOYSA-N
XLogP2.03
TPSA114.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile
CID 21192859
4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide
CID 54170243
(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-hydroxyphenyl)methanone
CID 21192745
(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(3,4-dichlorophenyl)methanone
CID 21192876
4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzenesulfonamide
CID 21192867
(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(1,3-benzodioxol-5-yl)methanone
CID 21192818
(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methoxyphenyl)methanone;hydrochloride
CID 67568356
(4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;hydrochloride
CID 162309124
S-ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbothioate;hydrochloride
CID 142634783
cyclobutyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
CID 54165508
4-(azepane-1-carbonyl)benzonitrile
CID 7964092
2-methylsulfanylethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
CID 67569242

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5-hydroxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile?
The IUPAC name of 4-(4-amino-5-hydroxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile (CID 135845139) is 4-(4-amino-5-hydroxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile.
What is the SMILES notation for 4-(4-amino-5-hydroxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile?
The canonical SMILES for 4-(4-amino-5-hydroxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile is N#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(O)cccc2N3)cc1.
What is the InChIKey of 4-(4-amino-5-hydroxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile?
The InChIKey is CKXPAAJCRIZEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c21-12-13-4-6-14(7-5-13)19(27)25-10-8-20(9-11-25)23-15-2-1-3-16(26)17(15)18(22)24-20/h1-7,23,26H,8-11H2,(H2,22,24).
What are the key properties of 4-(4-amino-5-hydroxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile?
4-(4-amino-5-hydroxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile has a molecular weight of 361.41 g/mol, XLogP of 2.03, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-5-hydroxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile is sourced from PubChem (CID 135845139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).