2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine

C15H18ClN3O2 — CID 22692592

IUPAC2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(Cl)nc(NC3CCCC3)c2cc1OC
InChIInChI=1S/C15H18ClN3O2/c1-20-12-7-10-11(8-13(12)21-2)18-15(16)19-14(10)17-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyHHXQRKYQHJYWHP-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.65
Rot. Bonds4

About 2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine

2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine (PubChem CID 22692592) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine
PubChem CID22692592
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(Cl)nc(NC3CCCC3)c2cc1OC
InChIInChI=1S/C15H18ClN3O2/c1-20-12-7-10-11(8-13(12)21-2)18-15(16)19-14(10)17-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyHHXQRKYQHJYWHP-UHFFFAOYSA-N
XLogP3.65
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of 2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine (CID 22692592) is 2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine is COc1cc2nc(Cl)nc(NC3CCCC3)c2cc1OC.
What is the InChIKey of 2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is HHXQRKYQHJYWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-20-12-7-10-11(8-13(12)21-2)18-15(16)19-14(10)17-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,17,18,19).
What are the key properties of 2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine?
2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 307.78 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 22692592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).