2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine

C18H18ClN3 — CID 727473

IUPAC2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine
SMILESCC(C)CNc1nc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C18H18ClN3/c1-12(2)11-20-17-14-8-4-6-10-16(14)21-18(22-17)13-7-3-5-9-15(13)19/h3-10,12H,11H2,1-2H3,(H,20,21,22)
InChIKeyKGTBIDTZMFCMBK-UHFFFAOYSA-N
MW311.82 g/mol
LogP5.02
Rot. Bonds4

About 2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine

2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine (PubChem CID 727473) has the molecular formula C18H18ClN3 and a molecular weight of 311.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine
PubChem CID727473
Molecular FormulaC18H18ClN3
Molecular Weight311.82 g/mol
Exact Mass311.12
IUPAC Name2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine
SMILESCC(C)CNc1nc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C18H18ClN3/c1-12(2)11-20-17-14-8-4-6-10-16(14)21-18(22-17)13-7-3-5-9-15(13)19/h3-10,12H,11H2,1-2H3,(H,20,21,22)
InChIKeyKGTBIDTZMFCMBK-UHFFFAOYSA-N
XLogP5.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.82
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine (CID 727473) is 2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine is CC(C)CNc1nc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine?
The InChIKey is KGTBIDTZMFCMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3/c1-12(2)11-20-17-14-8-4-6-10-16(14)21-18(22-17)13-7-3-5-9-15(13)19/h3-10,12H,11H2,1-2H3,(H,20,21,22).
What are the key properties of 2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine?
2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine has a molecular weight of 311.82 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine is sourced from PubChem (CID 727473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).