4-(azepan-1-yl)quinazolin-2-amine

C14H18N4 — CID 80764088

IUPAC4-(azepan-1-yl)quinazolin-2-amine
SMILESNc1nc(N2CCCCCC2)c2ccccc2n1
InChIInChI=1S/C14H18N4/c15-14-16-12-8-4-3-7-11(12)13(17-14)18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-10H2,(H2,15,16,17)
InChIKeyDWGXDWYSFQROIQ-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.59
Rot. Bonds1

About 4-(azepan-1-yl)quinazolin-2-amine

4-(azepan-1-yl)quinazolin-2-amine (PubChem CID 80764088) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-(azepan-1-yl)quinazolin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)quinazolin-2-amine
PubChem CID80764088
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-(azepan-1-yl)quinazolin-2-amine
SMILESNc1nc(N2CCCCCC2)c2ccccc2n1
InChIInChI=1S/C14H18N4/c15-14-16-12-8-4-3-7-11(12)13(17-14)18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-10H2,(H2,15,16,17)
InChIKeyDWGXDWYSFQROIQ-UHFFFAOYSA-N
XLogP2.59
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)quinazolin-2-amine?
The IUPAC name of 4-(azepan-1-yl)quinazolin-2-amine (CID 80764088) is 4-(azepan-1-yl)quinazolin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)quinazolin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)quinazolin-2-amine is Nc1nc(N2CCCCCC2)c2ccccc2n1.
What is the InChIKey of 4-(azepan-1-yl)quinazolin-2-amine?
The InChIKey is DWGXDWYSFQROIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-14-16-12-8-4-3-7-11(12)13(17-14)18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-10H2,(H2,15,16,17).
What are the key properties of 4-(azepan-1-yl)quinazolin-2-amine?
4-(azepan-1-yl)quinazolin-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)quinazolin-2-amine is sourced from PubChem (CID 80764088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).