2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carbonitrile

C15H20N4 — CID 39358324

IUPAC2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carbonitrile
SMILESN#Cc1nc(N2CCCCCC2)nc2c1CCCC2
InChIInChI=1S/C15H20N4/c16-11-14-12-7-3-4-8-13(12)17-15(18-14)19-9-5-1-2-6-10-19/h1-10H2
InChIKeyLWFKJSYKGSLBRZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.61
Rot. Bonds1

About 2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carbonitrile

2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carbonitrile (PubChem CID 39358324) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carbonitrile.

Molecular Properties

Compound Name2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carbonitrile
PubChem CID39358324
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carbonitrile
SMILESN#Cc1nc(N2CCCCCC2)nc2c1CCCC2
InChIInChI=1S/C15H20N4/c16-11-14-12-7-3-4-8-13(12)17-15(18-14)19-9-5-1-2-6-10-19/h1-10H2
InChIKeyLWFKJSYKGSLBRZ-UHFFFAOYSA-N
XLogP2.61
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]methanamine
CID 28908587
2-(azepan-1-yl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 17382095
N-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351687
N-ethyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191304
4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline
CID 17035762
2,4,6-tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031
2-(azepan-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117101225
2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 12602894
trans-(1S,2S)-2-[(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]cyclopentan-1-ol
CID 139814294
4-chloro-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 66525398
2-(N-methylanilino)-5,6,7,8-tetrahydroquinazoline-4-carbonitrile
CID 39363861
2-(azetidin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117101214

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carbonitrile?
The IUPAC name of 2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carbonitrile (CID 39358324) is 2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carbonitrile.
What is the SMILES notation for 2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carbonitrile?
The canonical SMILES for 2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carbonitrile is N#Cc1nc(N2CCCCCC2)nc2c1CCCC2.
What is the InChIKey of 2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carbonitrile?
The InChIKey is LWFKJSYKGSLBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-11-14-12-7-3-4-8-13(12)17-15(18-14)19-9-5-1-2-6-10-19/h1-10H2.
What are the key properties of 2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carbonitrile?
2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carbonitrile has a molecular weight of 256.35 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carbonitrile is sourced from PubChem (CID 39358324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).