7-chloro-6-fluoro-1-(2-methylnaphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione

C18H11ClFN3O2 — CID 167088494

IUPAC7-chloro-6-fluoro-1-(2-methylnaphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc2ccccc2c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21
InChIInChI=1S/C18H11ClFN3O2/c1-9-6-7-10-4-2-3-5-11(10)14(9)23-16-12(17(24)22-18(23)25)8-13(20)15(19)21-16/h2-8H,1H3,(H,22,24,25)
InChIKeyCOZZYRSZWNZRLA-UHFFFAOYSA-N
MW355.76 g/mol
LogP3.33
Rot. Bonds1

About 7-chloro-6-fluoro-1-(2-methylnaphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione

7-chloro-6-fluoro-1-(2-methylnaphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 167088494) has the molecular formula C18H11ClFN3O2 and a molecular weight of 355.76 g/mol. Its IUPAC name is 7-chloro-6-fluoro-1-(2-methylnaphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-chloro-6-fluoro-1-(2-methylnaphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID167088494
Molecular FormulaC18H11ClFN3O2
Molecular Weight355.76 g/mol
Exact Mass355.05
IUPAC Name7-chloro-6-fluoro-1-(2-methylnaphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc2ccccc2c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21
InChIInChI=1S/C18H11ClFN3O2/c1-9-6-7-10-4-2-3-5-11(10)14(9)23-16-12(17(24)22-18(23)25)8-13(20)15(19)21-16/h2-8H,1H3,(H,22,24,25)
InChIKeyCOZZYRSZWNZRLA-UHFFFAOYSA-N
XLogP3.33
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.76
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-butan-2-yl-4,6-dimethyl-3-pyridinyl)-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
CID 163245006
4-[2-(7-chloro-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)-3-propan-2-ylphenyl]butanoic acid
CID 165046294
6-chloro-7-(2-fluorophenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 153292541
6-chloro-1-(2,3-dimethyl-5-propan-2-yl-4-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 147709530
4,7-dichloro-6-fluoro-1-(2-methoxy-6-methylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 167088612
6-chloro-1-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 151655175
2-amino-3-(2-methylnaphthalen-1-yl)-4H-imidazo[4,5-b]pyridin-5-one
CID 58345764
7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione
CID 154593935
1-(3-ethyl-2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 19781665
3-bromo-7-chloro-6-fluoro-4-(methylamino)-1-(2-methylphenyl)-1,8-naphthyridin-2-one
CID 176913565
4,7-dichloro-1-[2-(1,1-difluoroethyl)-4-methyl-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidin-2-one
CID 156697785
7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-8-oxidopyrido[2,3-d]pyrimidin-8-ium-2,4-dione
CID 167376865

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-1-(2-methylnaphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-chloro-6-fluoro-1-(2-methylnaphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 167088494) is 7-chloro-6-fluoro-1-(2-methylnaphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-chloro-6-fluoro-1-(2-methylnaphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-chloro-6-fluoro-1-(2-methylnaphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione is Cc1ccc2ccccc2c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21.
What is the InChIKey of 7-chloro-6-fluoro-1-(2-methylnaphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is COZZYRSZWNZRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3O2/c1-9-6-7-10-4-2-3-5-11(10)14(9)23-16-12(17(24)22-18(23)25)8-13(20)15(19)21-16/h2-8H,1H3,(H,22,24,25).
What are the key properties of 7-chloro-6-fluoro-1-(2-methylnaphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
7-chloro-6-fluoro-1-(2-methylnaphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 355.76 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-1-(2-methylnaphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 167088494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).