2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

C23H19ClN4O3 — CID 46135084

IUPAC2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cccc(-n2c(=O)c3ccc(Cl)cc3n(CC(=O)NCc3cccnc3)c2=O)c1
InChIInChI=1S/C23H19ClN4O3/c1-15-4-2-6-18(10-15)28-22(30)19-8-7-17(24)11-20(19)27(23(28)31)14-21(29)26-13-16-5-3-9-25-12-16/h2-12H,13-14H2,1H3,(H,26,29)
InChIKeyWEARQFVLDLNRPV-UHFFFAOYSA-N
MW434.88 g/mol
LogP2.83
Rot. Bonds5

About 2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 46135084) has the molecular formula C23H19ClN4O3 and a molecular weight of 434.88 g/mol. Its IUPAC name is 2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID46135084
Molecular FormulaC23H19ClN4O3
Molecular Weight434.88 g/mol
Exact Mass434.11
IUPAC Name2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cccc(-n2c(=O)c3ccc(Cl)cc3n(CC(=O)NCc3cccnc3)c2=O)c1
InChIInChI=1S/C23H19ClN4O3/c1-15-4-2-6-18(10-15)28-22(30)19-8-7-17(24)11-20(19)27(23(28)31)14-21(29)26-13-16-5-3-9-25-12-16/h2-12H,13-14H2,1H3,(H,26,29)
InChIKeyWEARQFVLDLNRPV-UHFFFAOYSA-N
XLogP2.83
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 42811703
(2R)-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide
CID 93302213
2-[7-chloro-3-(3-nitrophenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
CID 71959572
2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 42811228
3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108947620
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46357211
N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 46857114
2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 93301719
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
(2S)-N-[(2R)-butan-2-yl]-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]butanamide
CID 93302210
2-[3-(4-methoxyphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 71841413
2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 70734680

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 46135084) is 2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is Cc1cccc(-n2c(=O)c3ccc(Cl)cc3n(CC(=O)NCc3cccnc3)c2=O)c1.
What is the InChIKey of 2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is WEARQFVLDLNRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3/c1-15-4-2-6-18(10-15)28-22(30)19-8-7-17(24)11-20(19)27(23(28)31)14-21(29)26-13-16-5-3-9-25-12-16/h2-12H,13-14H2,1H3,(H,26,29).
What are the key properties of 2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 434.88 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 46135084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).