N-ethyl-N-[(4-hydroxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide

C24H21N3O2 — CID 90655959

IUPACN-ethyl-N-[(4-hydroxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide
SMILESCCN(Cc1ccc(O)cc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C24H21N3O2/c1-2-27(16-17-12-14-19(28)15-13-17)24(29)23-25-21-11-7-6-10-20(21)22(26-23)18-8-4-3-5-9-18/h3-15,28H,2,16H2,1H3
InChIKeyZANCNHQPTYVTSF-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.66
Rot. Bonds5

About N-ethyl-N-[(4-hydroxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide

N-ethyl-N-[(4-hydroxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide (PubChem CID 90655959) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-ethyl-N-[(4-hydroxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-hydroxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide
PubChem CID90655959
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-ethyl-N-[(4-hydroxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide
SMILESCCN(Cc1ccc(O)cc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C24H21N3O2/c1-2-27(16-17-12-14-19(28)15-13-17)24(29)23-25-21-11-7-6-10-20(21)22(26-23)18-8-4-3-5-9-18/h3-15,28H,2,16H2,1H3
InChIKeyZANCNHQPTYVTSF-UHFFFAOYSA-N
XLogP4.66
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-hydroxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide?
The IUPAC name of N-ethyl-N-[(4-hydroxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide (CID 90655959) is N-ethyl-N-[(4-hydroxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(4-hydroxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(4-hydroxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide is CCN(Cc1ccc(O)cc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of N-ethyl-N-[(4-hydroxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide?
The InChIKey is ZANCNHQPTYVTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-2-27(16-17-12-14-19(28)15-13-17)24(29)23-25-21-11-7-6-10-20(21)22(26-23)18-8-4-3-5-9-18/h3-15,28H,2,16H2,1H3.
What are the key properties of N-ethyl-N-[(4-hydroxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide?
N-ethyl-N-[(4-hydroxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-hydroxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide is sourced from PubChem (CID 90655959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).