2-imidazol-1-yl-6-methoxy-4-(2-phenoxyethyl)quinazolin-5-amine

C20H19N5O2 — CID 151081216

IUPAC2-imidazol-1-yl-6-methoxy-4-(2-phenoxyethyl)quinazolin-5-amine
SMILESCOc1ccc2nc(-n3ccnc3)nc(CCOc3ccccc3)c2c1N
InChIInChI=1S/C20H19N5O2/c1-26-17-8-7-15-18(19(17)21)16(9-12-27-14-5-3-2-4-6-14)24-20(23-15)25-11-10-22-13-25/h2-8,10-11,13H,9,12,21H2,1H3
InChIKeyMKDXQNSHIFUQSJ-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.03
Rot. Bonds6

About 2-imidazol-1-yl-6-methoxy-4-(2-phenoxyethyl)quinazolin-5-amine

2-imidazol-1-yl-6-methoxy-4-(2-phenoxyethyl)quinazolin-5-amine (PubChem CID 151081216) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-imidazol-1-yl-6-methoxy-4-(2-phenoxyethyl)quinazolin-5-amine.

Molecular Properties

Compound Name2-imidazol-1-yl-6-methoxy-4-(2-phenoxyethyl)quinazolin-5-amine
PubChem CID151081216
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-imidazol-1-yl-6-methoxy-4-(2-phenoxyethyl)quinazolin-5-amine
SMILESCOc1ccc2nc(-n3ccnc3)nc(CCOc3ccccc3)c2c1N
InChIInChI=1S/C20H19N5O2/c1-26-17-8-7-15-18(19(17)21)16(9-12-27-14-5-3-2-4-6-14)24-20(23-15)25-11-10-22-13-25/h2-8,10-11,13H,9,12,21H2,1H3
InChIKeyMKDXQNSHIFUQSJ-UHFFFAOYSA-N
XLogP3.03
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-6-methoxy-4-(2-phenoxyethyl)quinazolin-5-amine?
The IUPAC name of 2-imidazol-1-yl-6-methoxy-4-(2-phenoxyethyl)quinazolin-5-amine (CID 151081216) is 2-imidazol-1-yl-6-methoxy-4-(2-phenoxyethyl)quinazolin-5-amine.
What is the SMILES notation for 2-imidazol-1-yl-6-methoxy-4-(2-phenoxyethyl)quinazolin-5-amine?
The canonical SMILES for 2-imidazol-1-yl-6-methoxy-4-(2-phenoxyethyl)quinazolin-5-amine is COc1ccc2nc(-n3ccnc3)nc(CCOc3ccccc3)c2c1N.
What is the InChIKey of 2-imidazol-1-yl-6-methoxy-4-(2-phenoxyethyl)quinazolin-5-amine?
The InChIKey is MKDXQNSHIFUQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-26-17-8-7-15-18(19(17)21)16(9-12-27-14-5-3-2-4-6-14)24-20(23-15)25-11-10-22-13-25/h2-8,10-11,13H,9,12,21H2,1H3.
What are the key properties of 2-imidazol-1-yl-6-methoxy-4-(2-phenoxyethyl)quinazolin-5-amine?
2-imidazol-1-yl-6-methoxy-4-(2-phenoxyethyl)quinazolin-5-amine has a molecular weight of 361.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-6-methoxy-4-(2-phenoxyethyl)quinazolin-5-amine is sourced from PubChem (CID 151081216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).