3-(2-chloroquinazolin-4-yl)propan-1-amine

C11H12ClN3 — CID 87746138

IUPAC3-(2-chloroquinazolin-4-yl)propan-1-amine
SMILESNCCCc1nc(Cl)nc2ccccc12
InChIInChI=1S/C11H12ClN3/c12-11-14-9-5-2-1-4-8(9)10(15-11)6-3-7-13/h1-2,4-5H,3,6-7,13H2
InChIKeyBZNXRNIRTONXJP-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.17
Rot. Bonds3

About 3-(2-chloroquinazolin-4-yl)propan-1-amine

3-(2-chloroquinazolin-4-yl)propan-1-amine (PubChem CID 87746138) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 3-(2-chloroquinazolin-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloroquinazolin-4-yl)propan-1-amine
PubChem CID87746138
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name3-(2-chloroquinazolin-4-yl)propan-1-amine
SMILESNCCCc1nc(Cl)nc2ccccc12
InChIInChI=1S/C11H12ClN3/c12-11-14-9-5-2-1-4-8(9)10(15-11)6-3-7-13/h1-2,4-5H,3,6-7,13H2
InChIKeyBZNXRNIRTONXJP-UHFFFAOYSA-N
XLogP2.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroquinazolin-4-yl)propan-1-amine?
The IUPAC name of 3-(2-chloroquinazolin-4-yl)propan-1-amine (CID 87746138) is 3-(2-chloroquinazolin-4-yl)propan-1-amine.
What is the SMILES notation for 3-(2-chloroquinazolin-4-yl)propan-1-amine?
The canonical SMILES for 3-(2-chloroquinazolin-4-yl)propan-1-amine is NCCCc1nc(Cl)nc2ccccc12.
What is the InChIKey of 3-(2-chloroquinazolin-4-yl)propan-1-amine?
The InChIKey is BZNXRNIRTONXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c12-11-14-9-5-2-1-4-8(9)10(15-11)6-3-7-13/h1-2,4-5H,3,6-7,13H2.
What are the key properties of 3-(2-chloroquinazolin-4-yl)propan-1-amine?
3-(2-chloroquinazolin-4-yl)propan-1-amine has a molecular weight of 221.69 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroquinazolin-4-yl)propan-1-amine is sourced from PubChem (CID 87746138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).