6-[3-(anilinomethyl)phenyl]-N-cyclopropylquinazolin-4-amine

C24H22N4 — CID 68942507

IUPAC6-[3-(anilinomethyl)phenyl]-N-cyclopropylquinazolin-4-amine
SMILESc1ccc(NCc2cccc(-c3ccc4ncnc(NC5CC5)c4c3)c2)cc1
InChIInChI=1S/C24H22N4/c1-2-7-20(8-3-1)25-15-17-5-4-6-18(13-17)19-9-12-23-22(14-19)24(27-16-26-23)28-21-10-11-21/h1-9,12-14,16,21,25H,10-11,15H2,(H,26,27,28)
InChIKeySULSMBQXAILMNP-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.48
Rot. Bonds6

About 6-[3-(anilinomethyl)phenyl]-N-cyclopropylquinazolin-4-amine

6-[3-(anilinomethyl)phenyl]-N-cyclopropylquinazolin-4-amine (PubChem CID 68942507) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-[3-(anilinomethyl)phenyl]-N-cyclopropylquinazolin-4-amine.

Molecular Properties

Compound Name6-[3-(anilinomethyl)phenyl]-N-cyclopropylquinazolin-4-amine
PubChem CID68942507
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name6-[3-(anilinomethyl)phenyl]-N-cyclopropylquinazolin-4-amine
SMILESc1ccc(NCc2cccc(-c3ccc4ncnc(NC5CC5)c4c3)c2)cc1
InChIInChI=1S/C24H22N4/c1-2-7-20(8-3-1)25-15-17-5-4-6-18(13-17)19-9-12-23-22(14-19)24(27-16-26-23)28-21-10-11-21/h1-9,12-14,16,21,25H,10-11,15H2,(H,26,27,28)
InChIKeySULSMBQXAILMNP-UHFFFAOYSA-N
XLogP5.48
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(anilinomethyl)phenyl]-N-cyclopropylquinazolin-4-amine?
The IUPAC name of 6-[3-(anilinomethyl)phenyl]-N-cyclopropylquinazolin-4-amine (CID 68942507) is 6-[3-(anilinomethyl)phenyl]-N-cyclopropylquinazolin-4-amine.
What is the SMILES notation for 6-[3-(anilinomethyl)phenyl]-N-cyclopropylquinazolin-4-amine?
The canonical SMILES for 6-[3-(anilinomethyl)phenyl]-N-cyclopropylquinazolin-4-amine is c1ccc(NCc2cccc(-c3ccc4ncnc(NC5CC5)c4c3)c2)cc1.
What is the InChIKey of 6-[3-(anilinomethyl)phenyl]-N-cyclopropylquinazolin-4-amine?
The InChIKey is SULSMBQXAILMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-2-7-20(8-3-1)25-15-17-5-4-6-18(13-17)19-9-12-23-22(14-19)24(27-16-26-23)28-21-10-11-21/h1-9,12-14,16,21,25H,10-11,15H2,(H,26,27,28).
What are the key properties of 6-[3-(anilinomethyl)phenyl]-N-cyclopropylquinazolin-4-amine?
6-[3-(anilinomethyl)phenyl]-N-cyclopropylquinazolin-4-amine has a molecular weight of 366.47 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(anilinomethyl)phenyl]-N-cyclopropylquinazolin-4-amine is sourced from PubChem (CID 68942507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).