8-chloro-3-cyclobutyl-5-methyl-2-phenylbenzo[b][1,6]naphthyridine-1,10-dione

C23H19ClN2O2 — CID 118539667

IUPAC8-chloro-3-cyclobutyl-5-methyl-2-phenylbenzo[b][1,6]naphthyridine-1,10-dione
SMILESCn1c2ccc(Cl)cc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CCC3)cc21
InChIInChI=1S/C23H19ClN2O2/c1-25-18-11-10-15(24)12-17(18)22(27)21-20(25)13-19(14-6-5-7-14)26(23(21)28)16-8-3-2-4-9-16/h2-4,8-14H,5-7H2,1H3
InChIKeyJREURABHKMOCMF-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.76
Rot. Bonds2

About 8-chloro-3-cyclobutyl-5-methyl-2-phenylbenzo[b][1,6]naphthyridine-1,10-dione

8-chloro-3-cyclobutyl-5-methyl-2-phenylbenzo[b][1,6]naphthyridine-1,10-dione (PubChem CID 118539667) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is 8-chloro-3-cyclobutyl-5-methyl-2-phenylbenzo[b][1,6]naphthyridine-1,10-dione.

Molecular Properties

Compound Name8-chloro-3-cyclobutyl-5-methyl-2-phenylbenzo[b][1,6]naphthyridine-1,10-dione
PubChem CID118539667
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name8-chloro-3-cyclobutyl-5-methyl-2-phenylbenzo[b][1,6]naphthyridine-1,10-dione
SMILESCn1c2ccc(Cl)cc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CCC3)cc21
InChIInChI=1S/C23H19ClN2O2/c1-25-18-11-10-15(24)12-17(18)22(27)21-20(25)13-19(14-6-5-7-14)26(23(21)28)16-8-3-2-4-9-16/h2-4,8-14H,5-7H2,1H3
InChIKeyJREURABHKMOCMF-UHFFFAOYSA-N
XLogP4.76
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-fluoro-5-methyl-2-phenyl-3-propan-2-ylbenzo[b][1,6]naphthyridine-1,10-dione
CID 118539765
2-chloro-9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione
CID 118553564
5-chloro-1,3-diphenylbenzimidazol-2-one
CID 3061785
2-cyclohexyl-1-phenylquinolin-4-one
CID 59052660
7-chloro-11-phenyl-11-azahexacyclo[15.3.1.115,19.02,14.04,12.05,10]docosa-2(14),3,5(10),6,8,12-hexaene
CID 163569616
6-chloro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
CID 117262573
6-chloro-1,2-dimethyl-3-[(E)-2-phenylethenyl]quinolin-4-one
CID 50917306
2-(8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indol-1-yl)acetic acid
CID 21183740
2-cyclobutyl-6,7,8-trimethyl-3-phenylpyrido[2,3-d]pyrimidine-4,5-dione
CID 118560833
8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid
CID 57216606
9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione
CID 118539694
12-cyclobutyl-2,5-dimethyl-11-phenyl-6-thia-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),3(7),4,12-tetraene-8,10-dione
CID 130200311

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-cyclobutyl-5-methyl-2-phenylbenzo[b][1,6]naphthyridine-1,10-dione?
The IUPAC name of 8-chloro-3-cyclobutyl-5-methyl-2-phenylbenzo[b][1,6]naphthyridine-1,10-dione (CID 118539667) is 8-chloro-3-cyclobutyl-5-methyl-2-phenylbenzo[b][1,6]naphthyridine-1,10-dione.
What is the SMILES notation for 8-chloro-3-cyclobutyl-5-methyl-2-phenylbenzo[b][1,6]naphthyridine-1,10-dione?
The canonical SMILES for 8-chloro-3-cyclobutyl-5-methyl-2-phenylbenzo[b][1,6]naphthyridine-1,10-dione is Cn1c2ccc(Cl)cc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CCC3)cc21.
What is the InChIKey of 8-chloro-3-cyclobutyl-5-methyl-2-phenylbenzo[b][1,6]naphthyridine-1,10-dione?
The InChIKey is JREURABHKMOCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c1-25-18-11-10-15(24)12-17(18)22(27)21-20(25)13-19(14-6-5-7-14)26(23(21)28)16-8-3-2-4-9-16/h2-4,8-14H,5-7H2,1H3.
What are the key properties of 8-chloro-3-cyclobutyl-5-methyl-2-phenylbenzo[b][1,6]naphthyridine-1,10-dione?
8-chloro-3-cyclobutyl-5-methyl-2-phenylbenzo[b][1,6]naphthyridine-1,10-dione has a molecular weight of 390.87 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-cyclobutyl-5-methyl-2-phenylbenzo[b][1,6]naphthyridine-1,10-dione is sourced from PubChem (CID 118539667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).