3-[(3-chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C18H18ClN3O3 — CID 18567300

IUPAC3-[(3-chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCOc1c(C)cnc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C
InChIInChI=1S/C18H18ClN3O3/c1-4-25-15-11(2)9-20-16-14(15)17(23)22(18(24)21(16)3)10-12-6-5-7-13(19)8-12/h5-9H,4,10H2,1-3H3
InChIKeyQSMJWYHULICDHE-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.50
Rot. Bonds4

About 3-[(3-chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

3-[(3-chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 18567300) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID18567300
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name3-[(3-chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCOc1c(C)cnc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C
InChIInChI=1S/C18H18ClN3O3/c1-4-25-15-11(2)9-20-16-14(15)17(23)22(18(24)21(16)3)10-12-6-5-7-13(19)8-12/h5-9H,4,10H2,1-3H3
InChIKeyQSMJWYHULICDHE-UHFFFAOYSA-N
XLogP2.50
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 18567300) is 3-[(3-chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is CCOc1c(C)cnc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is QSMJWYHULICDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-4-25-15-11(2)9-20-16-14(15)17(23)22(18(24)21(16)3)10-12-6-5-7-13(19)8-12/h5-9H,4,10H2,1-3H3.
What are the key properties of 3-[(3-chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
3-[(3-chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 359.81 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 18567300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).