1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione

C22H17ClFN3O2 — CID 18569562

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2ncccc2n(Cc2c(F)cccc2Cl)c(=O)n1CCc1ccccc1
InChIInChI=1S/C22H17ClFN3O2/c23-17-8-4-9-18(24)16(17)14-27-19-10-5-12-25-20(19)21(28)26(22(27)29)13-11-15-6-2-1-3-7-15/h1-10,12H,11,13-14H2
InChIKeyHCBXXGXOKKCAQI-UHFFFAOYSA-N
MW409.85 g/mol
LogP3.64
Rot. Bonds5

About 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione

1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 18569562) has the molecular formula C22H17ClFN3O2 and a molecular weight of 409.85 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID18569562
Molecular FormulaC22H17ClFN3O2
Molecular Weight409.85 g/mol
Exact Mass409.10
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2ncccc2n(Cc2c(F)cccc2Cl)c(=O)n1CCc1ccccc1
InChIInChI=1S/C22H17ClFN3O2/c23-17-8-4-9-18(24)16(17)14-27-19-10-5-12-25-20(19)21(28)26(22(27)29)13-11-15-6-2-1-3-7-15/h1-10,12H,11,13-14H2
InChIKeyHCBXXGXOKKCAQI-UHFFFAOYSA-N
XLogP3.64
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.85
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Quinazolin-4(3H)-one, 1,2-dihydro-3-(4-chlorophenyl)-2-(2-pyridyl)-
CID 620910
N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide
CID 10026002
6-(3-chlorophenyl)-3-(3-hydroxypropyl)-5-isopentyl-1-methylpyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione
CID 118874990
5-(4-chlorobenzyl)-3-(3-hydroxypropyl)-6-(2-isopropylphenyl)-1-methylpyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione
CID 118875024
6-(4-chlorophenyl)-3-(3-hydroxypropyl)-5-isopentyl-1-methylpyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione
CID 118875317
3-[6-(4-Chlorophenyl)-5-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl]propyl hydrogen carbonate
CID 118886841
5-(3-Chloro-phenyl)-1-(2,6-difluoro-benzyl)-6-methyl-3-{2-[methyl-(2-pyridin-2-yl-ethyl)-amino]-ethyl}-1H-pyrimidine-2,4-dione
CID 11375912
3-[(2-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 16010767
1-(2,6-difluorobenzyl)-6-(4-chlorobenzyl)-3-(2-(methyl(2-(pyridin-2-yl)ethyl)amino)ethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
CID 44435977
1-(2,6-difluorobenzyl)-6-(3-chlorobenzyl)-3-(2-(methyl(2-(pyridin-2-yl)ethyl)amino)ethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
CID 44435983
(R)-1-(2,6-difluorobenzyl)-6-(4-chlorobenzyl)-3-((1-(2-(pyridin-2-yl)ethyl)piperidin-2-yl)methyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
CID 44436003
3-amino-N-[3-chloro-4-(3-oxo-1,4-dihydroisoquinolin-2-yl)phenyl]pyridine-2-carboxamide
CID 127047638

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione (CID 18569562) is 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione is O=c1c2ncccc2n(Cc2c(F)cccc2Cl)c(=O)n1CCc1ccccc1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is HCBXXGXOKKCAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O2/c23-17-8-4-9-18(24)16(17)14-27-19-10-5-12-25-20(19)21(28)26(22(27)29)13-11-15-6-2-1-3-7-15/h1-10,12H,11,13-14H2.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 409.85 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 18569562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).