2-chloro-N-(4-propylphenyl)quinazolin-4-amine

C17H16ClN3 — CID 63548383

IUPAC2-chloro-N-(4-propylphenyl)quinazolin-4-amine
SMILESCCCc1ccc(Nc2nc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C17H16ClN3/c1-2-5-12-8-10-13(11-9-12)19-16-14-6-3-4-7-15(14)20-17(18)21-16/h3-4,6-11H,2,5H2,1H3,(H,19,20,21)
InChIKeyCHRPNUVBFSWXFJ-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.98
Rot. Bonds4

About 2-chloro-N-(4-propylphenyl)quinazolin-4-amine

2-chloro-N-(4-propylphenyl)quinazolin-4-amine (PubChem CID 63548383) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-chloro-N-(4-propylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-propylphenyl)quinazolin-4-amine
PubChem CID63548383
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name2-chloro-N-(4-propylphenyl)quinazolin-4-amine
SMILESCCCc1ccc(Nc2nc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C17H16ClN3/c1-2-5-12-8-10-13(11-9-12)19-16-14-6-3-4-7-15(14)20-17(18)21-16/h3-4,6-11H,2,5H2,1H3,(H,19,20,21)
InChIKeyCHRPNUVBFSWXFJ-UHFFFAOYSA-N
XLogP4.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-propylphenyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-(4-propylphenyl)quinazolin-4-amine (CID 63548383) is 2-chloro-N-(4-propylphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-propylphenyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(4-propylphenyl)quinazolin-4-amine is CCCc1ccc(Nc2nc(Cl)nc3ccccc23)cc1.
What is the InChIKey of 2-chloro-N-(4-propylphenyl)quinazolin-4-amine?
The InChIKey is CHRPNUVBFSWXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-2-5-12-8-10-13(11-9-12)19-16-14-6-3-4-7-15(14)20-17(18)21-16/h3-4,6-11H,2,5H2,1H3,(H,19,20,21).
What are the key properties of 2-chloro-N-(4-propylphenyl)quinazolin-4-amine?
2-chloro-N-(4-propylphenyl)quinazolin-4-amine has a molecular weight of 297.79 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-propylphenyl)quinazolin-4-amine is sourced from PubChem (CID 63548383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).