N-benzyl-1-propyl-4H-quinazolin-2-amine

C18H21N3 — CID 134156428

IUPACN-benzyl-1-propyl-4H-quinazolin-2-amine
SMILESCCCN1C(NCc2ccccc2)=NCc2ccccc21
InChIInChI=1S/C18H21N3/c1-2-12-21-17-11-7-6-10-16(17)14-20-18(21)19-13-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,19,20)
InChIKeyGAWVUMJSGXMJIR-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.56
Rot. Bonds4

About N-benzyl-1-propyl-4H-quinazolin-2-amine

N-benzyl-1-propyl-4H-quinazolin-2-amine (PubChem CID 134156428) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-benzyl-1-propyl-4H-quinazolin-2-amine.

Molecular Properties

Compound NameN-benzyl-1-propyl-4H-quinazolin-2-amine
PubChem CID134156428
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-benzyl-1-propyl-4H-quinazolin-2-amine
SMILESCCCN1C(NCc2ccccc2)=NCc2ccccc21
InChIInChI=1S/C18H21N3/c1-2-12-21-17-11-7-6-10-16(17)14-20-18(21)19-13-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,19,20)
InChIKeyGAWVUMJSGXMJIR-UHFFFAOYSA-N
XLogP3.56
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-propyl-4H-quinazolin-2-amine?
The IUPAC name of N-benzyl-1-propyl-4H-quinazolin-2-amine (CID 134156428) is N-benzyl-1-propyl-4H-quinazolin-2-amine.
What is the SMILES notation for N-benzyl-1-propyl-4H-quinazolin-2-amine?
The canonical SMILES for N-benzyl-1-propyl-4H-quinazolin-2-amine is CCCN1C(NCc2ccccc2)=NCc2ccccc21.
What is the InChIKey of N-benzyl-1-propyl-4H-quinazolin-2-amine?
The InChIKey is GAWVUMJSGXMJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-12-21-17-11-7-6-10-16(17)14-20-18(21)19-13-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,19,20).
What are the key properties of N-benzyl-1-propyl-4H-quinazolin-2-amine?
N-benzyl-1-propyl-4H-quinazolin-2-amine has a molecular weight of 279.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-propyl-4H-quinazolin-2-amine is sourced from PubChem (CID 134156428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).