3-imidazol-1-yl-N-(4-phenoxyquinazolin-7-yl)propanamide

C20H17N5O2 — CID 167875926

IUPAC3-imidazol-1-yl-N-(4-phenoxyquinazolin-7-yl)propanamide
SMILESO=C(CCn1ccnc1)Nc1ccc2c(Oc3ccccc3)ncnc2c1
InChIInChI=1S/C20H17N5O2/c26-19(8-10-25-11-9-21-14-25)24-15-6-7-17-18(12-15)22-13-23-20(17)27-16-4-2-1-3-5-16/h1-7,9,11-14H,8,10H2,(H,24,26)
InChIKeyOBTSWBQQSXIEDD-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.65
Rot. Bonds6

About 3-imidazol-1-yl-N-(4-phenoxyquinazolin-7-yl)propanamide

3-imidazol-1-yl-N-(4-phenoxyquinazolin-7-yl)propanamide (PubChem CID 167875926) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(4-phenoxyquinazolin-7-yl)propanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(4-phenoxyquinazolin-7-yl)propanamide
PubChem CID167875926
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name3-imidazol-1-yl-N-(4-phenoxyquinazolin-7-yl)propanamide
SMILESO=C(CCn1ccnc1)Nc1ccc2c(Oc3ccccc3)ncnc2c1
InChIInChI=1S/C20H17N5O2/c26-19(8-10-25-11-9-21-14-25)24-15-6-7-17-18(12-15)22-13-23-20(17)27-16-4-2-1-3-5-16/h1-7,9,11-14H,8,10H2,(H,24,26)
InChIKeyOBTSWBQQSXIEDD-UHFFFAOYSA-N
XLogP3.65
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide
CID 28739593
3-[3-(3-imidazol-1-ylpropanoylamino)phenyl]prop-2-enoic acid
CID 76907421
N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide
CID 16791927
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide
CID 61013976
N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide
CID 103789490
N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 47068944
N-[3-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylpropanamide
CID 47045489
N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 51124263
N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide
CID 115627274
3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide
CID 60647736
methyl 2-[[4-[[3-(3-imidazol-1-ylpropanoylamino)benzoyl]amino]benzoyl]amino]acetate
CID 55983857
N-benzyl-3-(3-imidazol-1-ylpropanoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95581974

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(4-phenoxyquinazolin-7-yl)propanamide?
The IUPAC name of 3-imidazol-1-yl-N-(4-phenoxyquinazolin-7-yl)propanamide (CID 167875926) is 3-imidazol-1-yl-N-(4-phenoxyquinazolin-7-yl)propanamide.
What is the SMILES notation for 3-imidazol-1-yl-N-(4-phenoxyquinazolin-7-yl)propanamide?
The canonical SMILES for 3-imidazol-1-yl-N-(4-phenoxyquinazolin-7-yl)propanamide is O=C(CCn1ccnc1)Nc1ccc2c(Oc3ccccc3)ncnc2c1.
What is the InChIKey of 3-imidazol-1-yl-N-(4-phenoxyquinazolin-7-yl)propanamide?
The InChIKey is OBTSWBQQSXIEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c26-19(8-10-25-11-9-21-14-25)24-15-6-7-17-18(12-15)22-13-23-20(17)27-16-4-2-1-3-5-16/h1-7,9,11-14H,8,10H2,(H,24,26).
What are the key properties of 3-imidazol-1-yl-N-(4-phenoxyquinazolin-7-yl)propanamide?
3-imidazol-1-yl-N-(4-phenoxyquinazolin-7-yl)propanamide has a molecular weight of 359.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(4-phenoxyquinazolin-7-yl)propanamide is sourced from PubChem (CID 167875926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).