4-amino-1-(4-chlorophenyl)-7-methyl-3-(1-methylpyrrol-2-yl)-1,8-naphthyridin-2-one

C20H17ClN4O — CID 175617040

IUPAC4-amino-1-(4-chlorophenyl)-7-methyl-3-(1-methylpyrrol-2-yl)-1,8-naphthyridin-2-one
SMILESCc1ccc2c(N)c(-c3cccn3C)c(=O)n(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C20H17ClN4O/c1-12-5-10-15-18(22)17(16-4-3-11-24(16)2)20(26)25(19(15)23-12)14-8-6-13(21)7-9-14/h3-11H,22H2,1-2H3
InChIKeyKMLQLIJTJZGNNP-UHFFFAOYSA-N
MW364.84 g/mol
LogP3.94
Rot. Bonds2

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

4-amino-1-(4-chlorophenyl)-7-methyl-3-(1-methylpyrrol-2-yl)-1,8-naphthyridin-2-one (PubChem CID 175617040) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 4-amino-1-(4-chlorophenyl)-7-methyl-3-(1-methylpyrrol-2-yl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-amino-1-(4-chlorophenyl)-7-methyl-3-(1-methylpyrrol-2-yl)-1,8-naphthyridin-2-one
PubChem CID175617040
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name4-amino-1-(4-chlorophenyl)-7-methyl-3-(1-methylpyrrol-2-yl)-1,8-naphthyridin-2-one
SMILESCc1ccc2c(N)c(-c3cccn3C)c(=O)n(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C20H17ClN4O/c1-12-5-10-15-18(22)17(16-4-3-11-24(16)2)20(26)25(19(15)23-12)14-8-6-13(21)7-9-14/h3-11H,22H2,1-2H3
InChIKeyKMLQLIJTJZGNNP-UHFFFAOYSA-N
XLogP3.94
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-chlorophenyl)-7-methyl-3-(1-methylpyrrol-2-yl)-1,8-naphthyridin-2-one?
The IUPAC name of 4-amino-1-(4-chlorophenyl)-7-methyl-3-(1-methylpyrrol-2-yl)-1,8-naphthyridin-2-one (CID 175617040) is 4-amino-1-(4-chlorophenyl)-7-methyl-3-(1-methylpyrrol-2-yl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-amino-1-(4-chlorophenyl)-7-methyl-3-(1-methylpyrrol-2-yl)-1,8-naphthyridin-2-one?
The canonical SMILES for 4-amino-1-(4-chlorophenyl)-7-methyl-3-(1-methylpyrrol-2-yl)-1,8-naphthyridin-2-one is Cc1ccc2c(N)c(-c3cccn3C)c(=O)n(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 4-amino-1-(4-chlorophenyl)-7-methyl-3-(1-methylpyrrol-2-yl)-1,8-naphthyridin-2-one?
The InChIKey is KMLQLIJTJZGNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c1-12-5-10-15-18(22)17(16-4-3-11-24(16)2)20(26)25(19(15)23-12)14-8-6-13(21)7-9-14/h3-11H,22H2,1-2H3.
What are the key properties of 4-amino-1-(4-chlorophenyl)-7-methyl-3-(1-methylpyrrol-2-yl)-1,8-naphthyridin-2-one?
4-amino-1-(4-chlorophenyl)-7-methyl-3-(1-methylpyrrol-2-yl)-1,8-naphthyridin-2-one has a molecular weight of 364.84 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-chlorophenyl)-7-methyl-3-(1-methylpyrrol-2-yl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 175617040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).