3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione

C25H21ClN4O3 — CID 18569482

IUPAC3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21)N1CCCc2ccccc21
InChIInChI=1S/C25H21ClN4O3/c26-19-11-9-17(10-12-19)15-30-24(32)23-21(8-3-13-27-23)29(25(30)33)16-22(31)28-14-4-6-18-5-1-2-7-20(18)28/h1-3,5,7-13H,4,6,14-16H2
InChIKeyAKYVBMDIGQJFTM-UHFFFAOYSA-N
MW460.92 g/mol
LogP3.24
Rot. Bonds4

About 3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione

3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 18569482) has the molecular formula C25H21ClN4O3 and a molecular weight of 460.92 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID18569482
Molecular FormulaC25H21ClN4O3
Molecular Weight460.92 g/mol
Exact Mass460.13
IUPAC Name3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21)N1CCCc2ccccc21
InChIInChI=1S/C25H21ClN4O3/c26-19-11-9-17(10-12-19)15-30-24(32)23-21(8-3-13-27-23)29(25(30)33)16-22(31)28-14-4-6-18-5-1-2-7-20(18)28/h1-3,5,7-13H,4,6,14-16H2
InChIKeyAKYVBMDIGQJFTM-UHFFFAOYSA-N
XLogP3.24
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.92
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-chlorophenyl)methyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxaline-2,3-dione
CID 46357331
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 27444620
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 41240519
3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(4-chlorophenyl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 27555520
1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 16951990
N-benzyl-2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)acetamide
CID 41233357
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-[(3-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 46922947
2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16987816
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
CID 15999898
1-(4-chlorophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16798461
3-[(4-chlorophenyl)methyl]-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazolo[4,5-d]pyrimidin-7-one
CID 20869504
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
CID 8023194

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione (CID 18569482) is 3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione is O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21)N1CCCc2ccccc21.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is AKYVBMDIGQJFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O3/c26-19-11-9-17(10-12-19)15-30-24(32)23-21(8-3-13-27-23)29(25(30)33)16-22(31)28-14-4-6-18-5-1-2-7-20(18)28/h1-3,5,7-13H,4,6,14-16H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione?
3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 460.92 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 18569482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).