10-(4-butan-2-ylphenyl)-9-hydroxy-7-methyl-6H-benzo[c][2,6]naphthyridin-5-one

C23H22N2O2 — CID 174315658

IUPAC10-(4-butan-2-ylphenyl)-9-hydroxy-7-methyl-6H-benzo[c][2,6]naphthyridin-5-one
SMILESCCC(C)c1ccc(-c2c(O)cc(C)c3[nH]c(=O)c4ccncc4c23)cc1
InChIInChI=1S/C23H22N2O2/c1-4-13(2)15-5-7-16(8-6-15)20-19(26)11-14(3)22-21(20)18-12-24-10-9-17(18)23(27)25-22/h5-13,26H,4H2,1-3H3,(H,25,27)
InChIKeyGASQPXMGPOEABE-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.27
Rot. Bonds3

About 10-(4-butan-2-ylphenyl)-9-hydroxy-7-methyl-6H-benzo[c][2,6]naphthyridin-5-one

10-(4-butan-2-ylphenyl)-9-hydroxy-7-methyl-6H-benzo[c][2,6]naphthyridin-5-one (PubChem CID 174315658) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 10-(4-butan-2-ylphenyl)-9-hydroxy-7-methyl-6H-benzo[c][2,6]naphthyridin-5-one.

Molecular Properties

Compound Name10-(4-butan-2-ylphenyl)-9-hydroxy-7-methyl-6H-benzo[c][2,6]naphthyridin-5-one
PubChem CID174315658
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name10-(4-butan-2-ylphenyl)-9-hydroxy-7-methyl-6H-benzo[c][2,6]naphthyridin-5-one
SMILESCCC(C)c1ccc(-c2c(O)cc(C)c3[nH]c(=O)c4ccncc4c23)cc1
InChIInChI=1S/C23H22N2O2/c1-4-13(2)15-5-7-16(8-6-15)20-19(26)11-14(3)22-21(20)18-12-24-10-9-17(18)23(27)25-22/h5-13,26H,4H2,1-3H3,(H,25,27)
InChIKeyGASQPXMGPOEABE-UHFFFAOYSA-N
XLogP5.27
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-[4-(1-aminopropan-2-yl)phenyl]-7-methyl-6,8-dihydropyrido[4,3-c][1,7]naphthyridine-5,9-dione
CID 171549742
tert-butyl N-[2-[4-(9-methoxy-7-methyl-5-oxo-6H-benzo[c][2,6]naphthyridin-10-yl)phenyl]propyl]carbamate
CID 171549918
9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-fluoro-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 118234953
9-[4-(1-aminoethyl)phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67446610
9-[4-[(1R)-1-aminoethyl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 118234948
1-[4-[(1R)-1-aminoethyl]phenyl]-4-chloro-2-hydroxy-5H-phenanthridin-6-one;hydrochloride
CID 175751730
2-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[3,4-c]quinolin-9-yl)phenyl]propyl carbamate
CID 175377752
6-chloro-9-[4-[1-(diethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450201
1-[4-(1-aminopropan-2-yl)phenyl]-7-hydroxy-2,4-dimethyl-5H-benzo[c][1,7]naphthyridin-6-one
CID 171549666
2-[4-[4-[(2R)-butan-2-yl]-N-methylanilino]phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002372
9-[4-[(2R)-1-(dimethylamino)propan-2-yl]-3-fluorophenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67450341
9-[4-[(1R)-1-aminopropyl]phenyl]-6-bromo-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450966

Frequently Asked Questions

What is the IUPAC name of 10-(4-butan-2-ylphenyl)-9-hydroxy-7-methyl-6H-benzo[c][2,6]naphthyridin-5-one?
The IUPAC name of 10-(4-butan-2-ylphenyl)-9-hydroxy-7-methyl-6H-benzo[c][2,6]naphthyridin-5-one (CID 174315658) is 10-(4-butan-2-ylphenyl)-9-hydroxy-7-methyl-6H-benzo[c][2,6]naphthyridin-5-one.
What is the SMILES notation for 10-(4-butan-2-ylphenyl)-9-hydroxy-7-methyl-6H-benzo[c][2,6]naphthyridin-5-one?
The canonical SMILES for 10-(4-butan-2-ylphenyl)-9-hydroxy-7-methyl-6H-benzo[c][2,6]naphthyridin-5-one is CCC(C)c1ccc(-c2c(O)cc(C)c3[nH]c(=O)c4ccncc4c23)cc1.
What is the InChIKey of 10-(4-butan-2-ylphenyl)-9-hydroxy-7-methyl-6H-benzo[c][2,6]naphthyridin-5-one?
The InChIKey is GASQPXMGPOEABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-4-13(2)15-5-7-16(8-6-15)20-19(26)11-14(3)22-21(20)18-12-24-10-9-17(18)23(27)25-22/h5-13,26H,4H2,1-3H3,(H,25,27).
What are the key properties of 10-(4-butan-2-ylphenyl)-9-hydroxy-7-methyl-6H-benzo[c][2,6]naphthyridin-5-one?
10-(4-butan-2-ylphenyl)-9-hydroxy-7-methyl-6H-benzo[c][2,6]naphthyridin-5-one has a molecular weight of 358.44 g/mol, XLogP of 5.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-butan-2-ylphenyl)-9-hydroxy-7-methyl-6H-benzo[c][2,6]naphthyridin-5-one is sourced from PubChem (CID 174315658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).