4-(azepan-1-yl)-2-methylquinazoline chloride

C15H19ClN3- — CID 53351740

IUPAC4-(azepan-1-yl)-2-methylquinazoline chloride
SMILESCc1nc(N2CCCCCC2)c2ccccc2n1.[Cl-]
InChIInChI=1S/C15H19N3.ClH/c1-12-16-14-9-5-4-8-13(14)15(17-12)18-10-6-2-3-7-11-18;/h4-5,8-9H,2-3,6-7,10-11H2,1H3;1H/p-1
InChIKeyHDHHSFMNXMVFNS-UHFFFAOYSA-M
MW276.79 g/mol
LogP0.32
Rot. Bonds1

About 4-(azepan-1-yl)-2-methylquinazoline chloride

4-(azepan-1-yl)-2-methylquinazoline chloride (PubChem CID 53351740) has the molecular formula C15H19ClN3- and a molecular weight of 276.79 g/mol. Its IUPAC name is 4-(azepan-1-yl)-2-methylquinazoline chloride.

Molecular Properties

Compound Name4-(azepan-1-yl)-2-methylquinazoline chloride
PubChem CID53351740
Molecular FormulaC15H19ClN3-
Molecular Weight276.79 g/mol
Exact Mass276.13
IUPAC Name4-(azepan-1-yl)-2-methylquinazoline chloride
SMILESCc1nc(N2CCCCCC2)c2ccccc2n1.[Cl-]
InChIInChI=1S/C15H19N3.ClH/c1-12-16-14-9-5-4-8-13(14)15(17-12)18-10-6-2-3-7-11-18;/h4-5,8-9H,2-3,6-7,10-11H2,1H3;1H/p-1
InChIKeyHDHHSFMNXMVFNS-UHFFFAOYSA-M
XLogP0.32
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-2-methylquinazoline chloride?
The IUPAC name of 4-(azepan-1-yl)-2-methylquinazoline chloride (CID 53351740) is 4-(azepan-1-yl)-2-methylquinazoline chloride.
What is the SMILES notation for 4-(azepan-1-yl)-2-methylquinazoline chloride?
The canonical SMILES for 4-(azepan-1-yl)-2-methylquinazoline chloride is Cc1nc(N2CCCCCC2)c2ccccc2n1.[Cl-].
What is the InChIKey of 4-(azepan-1-yl)-2-methylquinazoline chloride?
The InChIKey is HDHHSFMNXMVFNS-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H19N3.ClH/c1-12-16-14-9-5-4-8-13(14)15(17-12)18-10-6-2-3-7-11-18;/h4-5,8-9H,2-3,6-7,10-11H2,1H3;1H/p-1.
What are the key properties of 4-(azepan-1-yl)-2-methylquinazoline chloride?
4-(azepan-1-yl)-2-methylquinazoline chloride has a molecular weight of 276.79 g/mol, XLogP of 0.32, 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)-2-methylquinazoline chloride is sourced from PubChem (CID 53351740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).