6-chloro-N-cyclopropylquinazolin-4-amine

C11H10ClN3 — CID 13231191

IUPAC6-chloro-N-cyclopropylquinazolin-4-amine
SMILESClc1ccc2ncnc(NC3CC3)c2c1
InChIInChI=1S/C11H10ClN3/c12-7-1-4-10-9(5-7)11(14-6-13-10)15-8-2-3-8/h1,4-6,8H,2-3H2,(H,13,14,15)
InChIKeyFIXRNCXNMAZMPO-UHFFFAOYSA-N
MW219.68 g/mol
LogP2.86
Rot. Bonds2

About 6-chloro-N-cyclopropylquinazolin-4-amine

6-chloro-N-cyclopropylquinazolin-4-amine (PubChem CID 13231191) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is 6-chloro-N-cyclopropylquinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopropylquinazolin-4-amine
PubChem CID13231191
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name6-chloro-N-cyclopropylquinazolin-4-amine
SMILESClc1ccc2ncnc(NC3CC3)c2c1
InChIInChI=1S/C11H10ClN3/c12-7-1-4-10-9(5-7)11(14-6-13-10)15-8-2-3-8/h1,4-6,8H,2-3H2,(H,13,14,15)
InChIKeyFIXRNCXNMAZMPO-UHFFFAOYSA-N
XLogP2.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropylquinazolin-4-amine?
The IUPAC name of 6-chloro-N-cyclopropylquinazolin-4-amine (CID 13231191) is 6-chloro-N-cyclopropylquinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopropylquinazolin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopropylquinazolin-4-amine is Clc1ccc2ncnc(NC3CC3)c2c1.
What is the InChIKey of 6-chloro-N-cyclopropylquinazolin-4-amine?
The InChIKey is FIXRNCXNMAZMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c12-7-1-4-10-9(5-7)11(14-6-13-10)15-8-2-3-8/h1,4-6,8H,2-3H2,(H,13,14,15).
What are the key properties of 6-chloro-N-cyclopropylquinazolin-4-amine?
6-chloro-N-cyclopropylquinazolin-4-amine has a molecular weight of 219.68 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropylquinazolin-4-amine is sourced from PubChem (CID 13231191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).