1-cyclopropyl-2-phenylbenzo[b][1,8]naphthyridin-4-one

C21H16N2O — CID 102448592

IUPAC1-cyclopropyl-2-phenylbenzo[b][1,8]naphthyridin-4-one
SMILESO=c1cc(-c2ccccc2)n(C2CC2)c2nc3ccccc3cc12
InChIInChI=1S/C21H16N2O/c24-20-13-19(14-6-2-1-3-7-14)23(16-10-11-16)21-17(20)12-15-8-4-5-9-18(15)22-21/h1-9,12-13,16H,10-11H2
InChIKeyDLHMDRZKQNYQSH-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.55
Rot. Bonds2

About 1-cyclopropyl-2-phenylbenzo[b][1,8]naphthyridin-4-one

1-cyclopropyl-2-phenylbenzo[b][1,8]naphthyridin-4-one (PubChem CID 102448592) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-cyclopropyl-2-phenylbenzo[b][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-2-phenylbenzo[b][1,8]naphthyridin-4-one
PubChem CID102448592
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name1-cyclopropyl-2-phenylbenzo[b][1,8]naphthyridin-4-one
SMILESO=c1cc(-c2ccccc2)n(C2CC2)c2nc3ccccc3cc12
InChIInChI=1S/C21H16N2O/c24-20-13-19(14-6-2-1-3-7-14)23(16-10-11-16)21-17(20)12-15-8-4-5-9-18(15)22-21/h1-9,12-13,16H,10-11H2
InChIKeyDLHMDRZKQNYQSH-UHFFFAOYSA-N
XLogP4.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 162400669
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3-cyclopropyl-4-phenyl-1H-imidazol-2-one
CID 57455732
3-(chloromethyl)-1-cyclopropyl-6-phenylpyridin-2-one
CID 82521184
7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one;quinoline-3-carboxylic acid
CID 159130143
2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 140533296
3-(1-aminoethyl)-2-cyclopropylisoquinolin-1-one
CID 175300305
3-bromo-1-cyclohexyl-2-phenyl-1,8-naphthyridin-4-one
CID 57338759
5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one
CID 102134774
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CID 135603555
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CID 53323392

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-phenylbenzo[b][1,8]naphthyridin-4-one?
The IUPAC name of 1-cyclopropyl-2-phenylbenzo[b][1,8]naphthyridin-4-one (CID 102448592) is 1-cyclopropyl-2-phenylbenzo[b][1,8]naphthyridin-4-one.
What is the SMILES notation for 1-cyclopropyl-2-phenylbenzo[b][1,8]naphthyridin-4-one?
The canonical SMILES for 1-cyclopropyl-2-phenylbenzo[b][1,8]naphthyridin-4-one is O=c1cc(-c2ccccc2)n(C2CC2)c2nc3ccccc3cc12.
What is the InChIKey of 1-cyclopropyl-2-phenylbenzo[b][1,8]naphthyridin-4-one?
The InChIKey is DLHMDRZKQNYQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c24-20-13-19(14-6-2-1-3-7-14)23(16-10-11-16)21-17(20)12-15-8-4-5-9-18(15)22-21/h1-9,12-13,16H,10-11H2.
What are the key properties of 1-cyclopropyl-2-phenylbenzo[b][1,8]naphthyridin-4-one?
1-cyclopropyl-2-phenylbenzo[b][1,8]naphthyridin-4-one has a molecular weight of 312.37 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-phenylbenzo[b][1,8]naphthyridin-4-one is sourced from PubChem (CID 102448592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).