2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylquinazolin-4-amine

C15H18ClN3 — CID 62476660

IUPAC2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylquinazolin-4-amine
SMILESCC(C)N(CC1CC1)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C15H18ClN3/c1-10(2)19(9-11-7-8-11)14-12-5-3-4-6-13(12)17-15(16)18-14/h3-6,10-11H,7-9H2,1-2H3
InChIKeyMQLGMVGVISRMMN-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.91
Rot. Bonds4

About 2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylquinazolin-4-amine

2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylquinazolin-4-amine (PubChem CID 62476660) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylquinazolin-4-amine
PubChem CID62476660
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylquinazolin-4-amine
SMILESCC(C)N(CC1CC1)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C15H18ClN3/c1-10(2)19(9-11-7-8-11)14-12-5-3-4-6-13(12)17-15(16)18-14/h3-6,10-11H,7-9H2,1-2H3
InChIKeyMQLGMVGVISRMMN-UHFFFAOYSA-N
XLogP3.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylquinazolin-4-amine?
The IUPAC name of 2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylquinazolin-4-amine (CID 62476660) is 2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylquinazolin-4-amine is CC(C)N(CC1CC1)c1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylquinazolin-4-amine?
The InChIKey is MQLGMVGVISRMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-10(2)19(9-11-7-8-11)14-12-5-3-4-6-13(12)17-15(16)18-14/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylquinazolin-4-amine?
2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylquinazolin-4-amine has a molecular weight of 275.78 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylquinazolin-4-amine is sourced from PubChem (CID 62476660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).