7-methyl-10-(3-nitrophenyl)-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-one

C19H17N3O3 — CID 14423232

IUPAC7-methyl-10-(3-nitrophenyl)-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-one
SMILESCC1CCc2c(c(=O)c3cccnc3n2-c2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C19H17N3O3/c1-12-7-8-17-16(10-12)18(23)15-6-3-9-20-19(15)21(17)13-4-2-5-14(11-13)22(24)25/h2-6,9,11-12H,7-8,10H2,1H3
InChIKeySFJYDBONTXZMSH-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.42
Rot. Bonds2

About 7-methyl-10-(3-nitrophenyl)-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-one

7-methyl-10-(3-nitrophenyl)-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-one (PubChem CID 14423232) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 7-methyl-10-(3-nitrophenyl)-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-one.

Molecular Properties

Compound Name7-methyl-10-(3-nitrophenyl)-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-one
PubChem CID14423232
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name7-methyl-10-(3-nitrophenyl)-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-one
SMILESCC1CCc2c(c(=O)c3cccnc3n2-c2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C19H17N3O3/c1-12-7-8-17-16(10-12)18(23)15-6-3-9-20-19(15)21(17)13-4-2-5-14(11-13)22(24)25/h2-6,9,11-12H,7-8,10H2,1H3
InChIKeySFJYDBONTXZMSH-UHFFFAOYSA-N
XLogP3.42
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-10-(3-nitrophenyl)-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-one?
The IUPAC name of 7-methyl-10-(3-nitrophenyl)-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-one (CID 14423232) is 7-methyl-10-(3-nitrophenyl)-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-one.
What is the SMILES notation for 7-methyl-10-(3-nitrophenyl)-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-one?
The canonical SMILES for 7-methyl-10-(3-nitrophenyl)-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-one is CC1CCc2c(c(=O)c3cccnc3n2-c2cccc([N+](=O)[O-])c2)C1.
What is the InChIKey of 7-methyl-10-(3-nitrophenyl)-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-one?
The InChIKey is SFJYDBONTXZMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-7-8-17-16(10-12)18(23)15-6-3-9-20-19(15)21(17)13-4-2-5-14(11-13)22(24)25/h2-6,9,11-12H,7-8,10H2,1H3.
What are the key properties of 7-methyl-10-(3-nitrophenyl)-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-one?
7-methyl-10-(3-nitrophenyl)-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-one has a molecular weight of 335.36 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-10-(3-nitrophenyl)-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-one is sourced from PubChem (CID 14423232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).