4-(2-methyl-4-oxo-6-prop-2-enoxyquinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide

C25H22N4O3 — CID 29135509

IUPAC4-(2-methyl-4-oxo-6-prop-2-enoxyquinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide
SMILESC=CCOc1ccc2nc(C)n(-c3ccc(C(=O)NCc4ccccn4)cc3)c(=O)c2c1
InChIInChI=1S/C25H22N4O3/c1-3-14-32-21-11-12-23-22(15-21)25(31)29(17(2)28-23)20-9-7-18(8-10-20)24(30)27-16-19-6-4-5-13-26-19/h3-13,15H,1,14,16H2,2H3,(H,27,30)
InChIKeySEHIKMRMOFNAKN-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.58
Rot. Bonds7

About 4-(2-methyl-4-oxo-6-prop-2-enoxyquinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide

4-(2-methyl-4-oxo-6-prop-2-enoxyquinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 29135509) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 4-(2-methyl-4-oxo-6-prop-2-enoxyquinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(2-methyl-4-oxo-6-prop-2-enoxyquinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID29135509
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name4-(2-methyl-4-oxo-6-prop-2-enoxyquinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide
SMILESC=CCOc1ccc2nc(C)n(-c3ccc(C(=O)NCc4ccccn4)cc3)c(=O)c2c1
InChIInChI=1S/C25H22N4O3/c1-3-14-32-21-11-12-23-22(15-21)25(31)29(17(2)28-23)20-9-7-18(8-10-20)24(30)27-16-19-6-4-5-13-26-19/h3-13,15H,1,14,16H2,2H3,(H,27,30)
InChIKeySEHIKMRMOFNAKN-UHFFFAOYSA-N
XLogP3.58
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-methyl-4-oxo-6-prop-2-enoxyquinazolin-3-yl)benzamide
CID 29128638
4-(2-methyl-4-oxo-6-phenylmethoxyquinazolin-3-yl)benzoic acid
CID 42581400
1-(4-bromophenyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 6617180
4-(2-ethylimidazo[4,5-b]pyridin-3-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 20916068
N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46415784
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 86878908
3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55964259
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 60589902
3-(benzenesulfonyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 18680806
N-(5-hydroxypentyl)-3-[2-methyl-6-(2-methylprop-2-enoxy)-4-oxoquinazolin-3-yl]benzamide
CID 29129727
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 31141116

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-oxo-6-prop-2-enoxyquinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-(2-methyl-4-oxo-6-prop-2-enoxyquinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide (CID 29135509) is 4-(2-methyl-4-oxo-6-prop-2-enoxyquinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(2-methyl-4-oxo-6-prop-2-enoxyquinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-(2-methyl-4-oxo-6-prop-2-enoxyquinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide is C=CCOc1ccc2nc(C)n(-c3ccc(C(=O)NCc4ccccn4)cc3)c(=O)c2c1.
What is the InChIKey of 4-(2-methyl-4-oxo-6-prop-2-enoxyquinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is SEHIKMRMOFNAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-3-14-32-21-11-12-23-22(15-21)25(31)29(17(2)28-23)20-9-7-18(8-10-20)24(30)27-16-19-6-4-5-13-26-19/h3-13,15H,1,14,16H2,2H3,(H,27,30).
What are the key properties of 4-(2-methyl-4-oxo-6-prop-2-enoxyquinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide?
4-(2-methyl-4-oxo-6-prop-2-enoxyquinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 426.48 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-oxo-6-prop-2-enoxyquinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 29135509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).