4-(3-chlorophenyl)-1-ethyl-7-methyl-3-pyridin-3-yl-1,8-naphthyridin-2-one

C22H18ClN3O — CID 139890342

IUPAC4-(3-chlorophenyl)-1-ethyl-7-methyl-3-pyridin-3-yl-1,8-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2cccnc2)c(-c2cccc(Cl)c2)c2ccc(C)nc21
InChIInChI=1S/C22H18ClN3O/c1-3-26-21-18(10-9-14(2)25-21)19(15-6-4-8-17(23)12-15)20(22(26)27)16-7-5-11-24-13-16/h4-13H,3H2,1-2H3
InChIKeyLGCLFKUKHLLOSM-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.11
Rot. Bonds3

About 4-(3-chlorophenyl)-1-ethyl-7-methyl-3-pyridin-3-yl-1,8-naphthyridin-2-one

4-(3-chlorophenyl)-1-ethyl-7-methyl-3-pyridin-3-yl-1,8-naphthyridin-2-one (PubChem CID 139890342) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-ethyl-7-methyl-3-pyridin-3-yl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-ethyl-7-methyl-3-pyridin-3-yl-1,8-naphthyridin-2-one
PubChem CID139890342
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name4-(3-chlorophenyl)-1-ethyl-7-methyl-3-pyridin-3-yl-1,8-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2cccnc2)c(-c2cccc(Cl)c2)c2ccc(C)nc21
InChIInChI=1S/C22H18ClN3O/c1-3-26-21-18(10-9-14(2)25-21)19(15-6-4-8-17(23)12-15)20(22(26)27)16-7-5-11-24-13-16/h4-13H,3H2,1-2H3
InChIKeyLGCLFKUKHLLOSM-UHFFFAOYSA-N
XLogP5.11
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-ethyl-7-methyl-3-pyridin-3-yl-1,8-naphthyridin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-1-ethyl-7-methyl-3-pyridin-3-yl-1,8-naphthyridin-2-one (CID 139890342) is 4-(3-chlorophenyl)-1-ethyl-7-methyl-3-pyridin-3-yl-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-1-ethyl-7-methyl-3-pyridin-3-yl-1,8-naphthyridin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-1-ethyl-7-methyl-3-pyridin-3-yl-1,8-naphthyridin-2-one is CCn1c(=O)c(-c2cccnc2)c(-c2cccc(Cl)c2)c2ccc(C)nc21.
What is the InChIKey of 4-(3-chlorophenyl)-1-ethyl-7-methyl-3-pyridin-3-yl-1,8-naphthyridin-2-one?
The InChIKey is LGCLFKUKHLLOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c1-3-26-21-18(10-9-14(2)25-21)19(15-6-4-8-17(23)12-15)20(22(26)27)16-7-5-11-24-13-16/h4-13H,3H2,1-2H3.
What are the key properties of 4-(3-chlorophenyl)-1-ethyl-7-methyl-3-pyridin-3-yl-1,8-naphthyridin-2-one?
4-(3-chlorophenyl)-1-ethyl-7-methyl-3-pyridin-3-yl-1,8-naphthyridin-2-one has a molecular weight of 375.86 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-ethyl-7-methyl-3-pyridin-3-yl-1,8-naphthyridin-2-one is sourced from PubChem (CID 139890342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).