3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-1H-1,6-naphthyridin-2-one

C20H19ClN4O2 — CID 6268816

IUPAC3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-1H-1,6-naphthyridin-2-one
SMILESCc1nccc2[nH]c(=O)c(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc12
InChIInChI=1S/C20H19ClN4O2/c1-13-16-12-17(19(26)23-18(16)6-7-22-13)20(27)25-10-8-24(9-11-25)15-4-2-14(21)3-5-15/h2-7,12H,8-11H2,1H3,(H,23,26)
InChIKeyCBRGFABFIKJVEJ-UHFFFAOYSA-N
MW382.85 g/mol
LogP2.85
Rot. Bonds2

About 3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-1H-1,6-naphthyridin-2-one

3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-1H-1,6-naphthyridin-2-one (PubChem CID 6268816) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-1H-1,6-naphthyridin-2-one
PubChem CID6268816
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-1H-1,6-naphthyridin-2-one
SMILESCc1nccc2[nH]c(=O)c(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc12
InChIInChI=1S/C20H19ClN4O2/c1-13-16-12-17(19(26)23-18(16)6-7-22-13)20(27)25-10-8-24(9-11-25)15-4-2-14(21)3-5-15/h2-7,12H,8-11H2,1H3,(H,23,26)
InChIKeyCBRGFABFIKJVEJ-UHFFFAOYSA-N
XLogP2.85
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-1H-1,6-naphthyridin-2-one?
The IUPAC name of 3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-1H-1,6-naphthyridin-2-one (CID 6268816) is 3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-1H-1,6-naphthyridin-2-one is Cc1nccc2[nH]c(=O)c(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc12.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-1H-1,6-naphthyridin-2-one?
The InChIKey is CBRGFABFIKJVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-13-16-12-17(19(26)23-18(16)6-7-22-13)20(27)25-10-8-24(9-11-25)15-4-2-14(21)3-5-15/h2-7,12H,8-11H2,1H3,(H,23,26).
What are the key properties of 3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-1H-1,6-naphthyridin-2-one?
3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-1H-1,6-naphthyridin-2-one has a molecular weight of 382.85 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 6268816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).