2-imidazol-1-yl-4-(2-phenylethyl)quinazolin-5-amine

C19H17N5 — CID 150286970

IUPAC2-imidazol-1-yl-4-(2-phenylethyl)quinazolin-5-amine
SMILESNc1cccc2nc(-n3ccnc3)nc(CCc3ccccc3)c12
InChIInChI=1S/C19H17N5/c20-15-7-4-8-16-18(15)17(10-9-14-5-2-1-3-6-14)23-19(22-16)24-12-11-21-13-24/h1-8,11-13H,9-10,20H2
InChIKeyGGUCJTDCKMQYGL-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.18
Rot. Bonds4

About 2-imidazol-1-yl-4-(2-phenylethyl)quinazolin-5-amine

2-imidazol-1-yl-4-(2-phenylethyl)quinazolin-5-amine (PubChem CID 150286970) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-imidazol-1-yl-4-(2-phenylethyl)quinazolin-5-amine.

Molecular Properties

Compound Name2-imidazol-1-yl-4-(2-phenylethyl)quinazolin-5-amine
PubChem CID150286970
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name2-imidazol-1-yl-4-(2-phenylethyl)quinazolin-5-amine
SMILESNc1cccc2nc(-n3ccnc3)nc(CCc3ccccc3)c12
InChIInChI=1S/C19H17N5/c20-15-7-4-8-16-18(15)17(10-9-14-5-2-1-3-6-14)23-19(22-16)24-12-11-21-13-24/h1-8,11-13H,9-10,20H2
InChIKeyGGUCJTDCKMQYGL-UHFFFAOYSA-N
XLogP3.18
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-4-(2-phenylethyl)quinazolin-5-amine?
The IUPAC name of 2-imidazol-1-yl-4-(2-phenylethyl)quinazolin-5-amine (CID 150286970) is 2-imidazol-1-yl-4-(2-phenylethyl)quinazolin-5-amine.
What is the SMILES notation for 2-imidazol-1-yl-4-(2-phenylethyl)quinazolin-5-amine?
The canonical SMILES for 2-imidazol-1-yl-4-(2-phenylethyl)quinazolin-5-amine is Nc1cccc2nc(-n3ccnc3)nc(CCc3ccccc3)c12.
What is the InChIKey of 2-imidazol-1-yl-4-(2-phenylethyl)quinazolin-5-amine?
The InChIKey is GGUCJTDCKMQYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c20-15-7-4-8-16-18(15)17(10-9-14-5-2-1-3-6-14)23-19(22-16)24-12-11-21-13-24/h1-8,11-13H,9-10,20H2.
What are the key properties of 2-imidazol-1-yl-4-(2-phenylethyl)quinazolin-5-amine?
2-imidazol-1-yl-4-(2-phenylethyl)quinazolin-5-amine has a molecular weight of 315.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-4-(2-phenylethyl)quinazolin-5-amine is sourced from PubChem (CID 150286970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).