2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)butanamide

C25H24N4O3 — CID 42811703

IUPAC2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)butanamide
SMILESCCC(C(=O)NCc1cccnc1)n1c(=O)n(-c2cccc(C)c2)c(=O)c2ccccc21
InChIInChI=1S/C25H24N4O3/c1-3-21(23(30)27-16-18-9-7-13-26-15-18)29-22-12-5-4-11-20(22)24(31)28(25(29)32)19-10-6-8-17(2)14-19/h4-15,21H,3,16H2,1-2H3,(H,27,30)
InChIKeyGYOCGTDPBXKUOL-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.12
Rot. Bonds6

About 2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)butanamide

2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 42811703) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)butanamide
PubChem CID42811703
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)butanamide
SMILESCCC(C(=O)NCc1cccnc1)n1c(=O)n(-c2cccc(C)c2)c(=O)c2ccccc21
InChIInChI=1S/C25H24N4O3/c1-3-21(23(30)27-16-18-9-7-13-26-15-18)29-22-12-5-4-11-20(22)24(31)28(25(29)32)19-10-6-8-17(2)14-19/h4-15,21H,3,16H2,1-2H3,(H,27,30)
InChIKeyGYOCGTDPBXKUOL-UHFFFAOYSA-N
XLogP3.12
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide
CID 93302213
2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 46135084
(2S)-N-[(2R)-butan-2-yl]-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]butanamide
CID 93302210
(2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid
CID 93142932
(2R)-2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)butanamide
CID 93304312
(2R)-2-[3-(3-acetylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1S)-1-phenylethyl]butanamide
CID 93289051
(2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 93301422
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108947620
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
N-(furan-2-ylmethyl)-2-[3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide
CID 46135503

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)butanamide (CID 42811703) is 2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)butanamide is CCC(C(=O)NCc1cccnc1)n1c(=O)n(-c2cccc(C)c2)c(=O)c2ccccc21.
What is the InChIKey of 2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is GYOCGTDPBXKUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-3-21(23(30)27-16-18-9-7-13-26-15-18)29-22-12-5-4-11-20(22)24(31)28(25(29)32)19-10-6-8-17(2)14-19/h4-15,21H,3,16H2,1-2H3,(H,27,30).
What are the key properties of 2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)butanamide?
2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 428.49 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 42811703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).