4-[[4-(azetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile

C18H21N5 — CID 121262551

IUPAC4-[[4-(azetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile
SMILESN#Cc1ccc2ncnc(NC3CCC(N4CCC4)CC3)c2c1
InChIInChI=1S/C18H21N5/c19-11-13-2-7-17-16(10-13)18(21-12-20-17)22-14-3-5-15(6-4-14)23-8-1-9-23/h2,7,10,12,14-15H,1,3-6,8-9H2,(H,20,21,22)
InChIKeyNBRSGUHQFSLZAB-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.93
Rot. Bonds3

About 4-[[4-(azetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile

4-[[4-(azetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile (PubChem CID 121262551) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-[[4-(azetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile.

Molecular Properties

Compound Name4-[[4-(azetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile
PubChem CID121262551
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name4-[[4-(azetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile
SMILESN#Cc1ccc2ncnc(NC3CCC(N4CCC4)CC3)c2c1
InChIInChI=1S/C18H21N5/c19-11-13-2-7-17-16(10-13)18(21-12-20-17)22-14-3-5-15(6-4-14)23-8-1-9-23/h2,7,10,12,14-15H,1,3-6,8-9H2,(H,20,21,22)
InChIKeyNBRSGUHQFSLZAB-UHFFFAOYSA-N
XLogP2.93
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 214347
Rilpivirine
CID 6451164
Spautin-1
CID 51037431
Rilpivirine Hydrochloride
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N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-Benzylquinazolin-4-amine
CID 616573
Importazole
CID 2949965
Senexin A
CID 56927063
4-[[4-[4-(2-Cyanoethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile
CID 5270788
N-(2-phenylethyl)quinazolin-4-amine
CID 198909
4-Anilinoquinazoline
CID 324081

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(azetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile?
The IUPAC name of 4-[[4-(azetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile (CID 121262551) is 4-[[4-(azetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile.
What is the SMILES notation for 4-[[4-(azetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile?
The canonical SMILES for 4-[[4-(azetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile is N#Cc1ccc2ncnc(NC3CCC(N4CCC4)CC3)c2c1.
What is the InChIKey of 4-[[4-(azetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile?
The InChIKey is NBRSGUHQFSLZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c19-11-13-2-7-17-16(10-13)18(21-12-20-17)22-14-3-5-15(6-4-14)23-8-1-9-23/h2,7,10,12,14-15H,1,3-6,8-9H2,(H,20,21,22).
What are the key properties of 4-[[4-(azetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile?
4-[[4-(azetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile has a molecular weight of 307.40 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(azetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile is sourced from PubChem (CID 121262551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).