2-chloro-N-cycloheptylquinazolin-4-amine

C15H18ClN3 — CID 22692826

IUPAC2-chloro-N-cycloheptylquinazolin-4-amine
SMILESClc1nc(NC2CCCCCC2)c2ccccc2n1
InChIInChI=1S/C15H18ClN3/c16-15-18-13-10-6-5-9-12(13)14(19-15)17-11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8H2,(H,17,18,19)
InChIKeyVRGOWZYXHMQXSY-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.42
Rot. Bonds2

About 2-chloro-N-cycloheptylquinazolin-4-amine

2-chloro-N-cycloheptylquinazolin-4-amine (PubChem CID 22692826) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-chloro-N-cycloheptylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cycloheptylquinazolin-4-amine
PubChem CID22692826
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name2-chloro-N-cycloheptylquinazolin-4-amine
SMILESClc1nc(NC2CCCCCC2)c2ccccc2n1
InChIInChI=1S/C15H18ClN3/c16-15-18-13-10-6-5-9-12(13)14(19-15)17-11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8H2,(H,17,18,19)
InChIKeyVRGOWZYXHMQXSY-UHFFFAOYSA-N
XLogP4.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cycloheptylquinazolin-4-amine?
The IUPAC name of 2-chloro-N-cycloheptylquinazolin-4-amine (CID 22692826) is 2-chloro-N-cycloheptylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-cycloheptylquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-cycloheptylquinazolin-4-amine is Clc1nc(NC2CCCCCC2)c2ccccc2n1.
What is the InChIKey of 2-chloro-N-cycloheptylquinazolin-4-amine?
The InChIKey is VRGOWZYXHMQXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c16-15-18-13-10-6-5-9-12(13)14(19-15)17-11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8H2,(H,17,18,19).
What are the key properties of 2-chloro-N-cycloheptylquinazolin-4-amine?
2-chloro-N-cycloheptylquinazolin-4-amine has a molecular weight of 275.78 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cycloheptylquinazolin-4-amine is sourced from PubChem (CID 22692826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).