4-(azepan-1-yl)quinazoline

C14H17N3 — CID 5207391

IUPAC4-(azepan-1-yl)quinazoline
SMILESc1ccc2c(N3CCCCCC3)ncnc2c1
InChIInChI=1S/C14H17N3/c1-2-6-10-17(9-5-1)14-12-7-3-4-8-13(12)15-11-16-14/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKeyULUDAPOAUVASSB-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.01
Rot. Bonds1

About 4-(azepan-1-yl)quinazoline

4-(azepan-1-yl)quinazoline (PubChem CID 5207391) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(azepan-1-yl)quinazoline.

Molecular Properties

Compound Name4-(azepan-1-yl)quinazoline
PubChem CID5207391
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-(azepan-1-yl)quinazoline
SMILESc1ccc2c(N3CCCCCC3)ncnc2c1
InChIInChI=1S/C14H17N3/c1-2-6-10-17(9-5-1)14-12-7-3-4-8-13(12)15-11-16-14/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKeyULUDAPOAUVASSB-UHFFFAOYSA-N
XLogP3.01
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloropiperidin-1-yl)quinazoline
CID 55184238
4-(3-methylsulfanylazepan-1-yl)quinazoline
CID 133394964
4-(azepan-1-yl)quinazolin-7-amine
CID 65336850
4-(azocan-1-yl)quinazolin-7-amine
CID 65337382
(3S)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 94184844
4-(4-benzhydrylpiperazin-1-yl)quinazoline
CID 1413844
4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline
CID 123289394
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)quinazoline
CID 49227812
4-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]quinazoline
CID 95155089
2,2-dimethyl-1-(4-quinazolin-4-yl-1,4-diazepan-1-yl)propan-1-one
CID 171335913
4-(4-imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)quinazoline
CID 166605534
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)quinazoline?
The IUPAC name of 4-(azepan-1-yl)quinazoline (CID 5207391) is 4-(azepan-1-yl)quinazoline.
What is the SMILES notation for 4-(azepan-1-yl)quinazoline?
The canonical SMILES for 4-(azepan-1-yl)quinazoline is c1ccc2c(N3CCCCCC3)ncnc2c1.
What is the InChIKey of 4-(azepan-1-yl)quinazoline?
The InChIKey is ULUDAPOAUVASSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-6-10-17(9-5-1)14-12-7-3-4-8-13(12)15-11-16-14/h3-4,7-8,11H,1-2,5-6,9-10H2.
What are the key properties of 4-(azepan-1-yl)quinazoline?
4-(azepan-1-yl)quinazoline has a molecular weight of 227.31 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)quinazoline is sourced from PubChem (CID 5207391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).