(3-methoxyphenyl)-(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone

C20H19N3O2 — CID 24731407

IUPAC(3-methoxyphenyl)-(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone
SMILESCOc1cccc(C(=O)N2CCc3nc4ncc(C)cc4cc3C2)c1
InChIInChI=1S/C20H19N3O2/c1-13-8-15-9-16-12-23(7-6-18(16)22-19(15)21-11-13)20(24)14-4-3-5-17(10-14)25-2/h3-5,8-11H,6-7,12H2,1-2H3
InChIKeyNHFPPGQRGZGCSI-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.15
Rot. Bonds2

About (3-methoxyphenyl)-(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone

(3-methoxyphenyl)-(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone (PubChem CID 24731407) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (3-methoxyphenyl)-(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone
PubChem CID24731407
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(3-methoxyphenyl)-(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone
SMILESCOc1cccc(C(=O)N2CCc3nc4ncc(C)cc4cc3C2)c1
InChIInChI=1S/C20H19N3O2/c1-13-8-15-9-16-12-23(7-6-18(16)22-19(15)21-11-13)20(24)14-4-3-5-17(10-14)25-2/h3-5,8-11H,6-7,12H2,1-2H3
InChIKeyNHFPPGQRGZGCSI-UHFFFAOYSA-N
XLogP3.15
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone (CID 24731407) is (3-methoxyphenyl)-(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone is COc1cccc(C(=O)N2CCc3nc4ncc(C)cc4cc3C2)c1.
What is the InChIKey of (3-methoxyphenyl)-(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone?
The InChIKey is NHFPPGQRGZGCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-8-15-9-16-12-23(7-6-18(16)22-19(15)21-11-13)20(24)14-4-3-5-17(10-14)25-2/h3-5,8-11H,6-7,12H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone?
(3-methoxyphenyl)-(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone has a molecular weight of 333.39 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone is sourced from PubChem (CID 24731407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).