10-[(1Z,3E)-1-(dimethylamino)hexa-1,3,5-trien-3-yl]-9-hydroxy-7-methyl-6H-benzo[f][1,7]naphthyridin-5-one

C21H21N3O2 — CID 174315282

IUPAC10-[(1Z,3E)-1-(dimethylamino)hexa-1,3,5-trien-3-yl]-9-hydroxy-7-methyl-6H-benzo[f][1,7]naphthyridin-5-one
SMILESC=C/C=C(\C=C/N(C)C)c1c(O)cc(C)c2[nH]c(=O)c3ncccc3c12
InChIInChI=1S/C21H21N3O2/c1-5-7-14(9-11-24(3)4)17-16(25)12-13(2)19-18(17)15-8-6-10-22-20(15)21(26)23-19/h5-12,25H,1H2,2-4H3,(H,23,26)/b11-9-,14-7+
InChIKeyKZBMUYLMXBOTPL-WEAPMHCESA-N
MW347.42 g/mol
LogP3.74
Rot. Bonds4

About 10-[(1Z,3E)-1-(dimethylamino)hexa-1,3,5-trien-3-yl]-9-hydroxy-7-methyl-6H-benzo[f][1,7]naphthyridin-5-one

10-[(1Z,3E)-1-(dimethylamino)hexa-1,3,5-trien-3-yl]-9-hydroxy-7-methyl-6H-benzo[f][1,7]naphthyridin-5-one (PubChem CID 174315282) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 10-[(1Z,3E)-1-(dimethylamino)hexa-1,3,5-trien-3-yl]-9-hydroxy-7-methyl-6H-benzo[f][1,7]naphthyridin-5-one.

Molecular Properties

Compound Name10-[(1Z,3E)-1-(dimethylamino)hexa-1,3,5-trien-3-yl]-9-hydroxy-7-methyl-6H-benzo[f][1,7]naphthyridin-5-one
PubChem CID174315282
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name10-[(1Z,3E)-1-(dimethylamino)hexa-1,3,5-trien-3-yl]-9-hydroxy-7-methyl-6H-benzo[f][1,7]naphthyridin-5-one
SMILESC=C/C=C(\C=C/N(C)C)c1c(O)cc(C)c2[nH]c(=O)c3ncccc3c12
InChIInChI=1S/C21H21N3O2/c1-5-7-14(9-11-24(3)4)17-16(25)12-13(2)19-18(17)15-8-6-10-22-20(15)21(26)23-19/h5-12,25H,1H2,2-4H3,(H,23,26)/b11-9-,14-7+
InChIKeyKZBMUYLMXBOTPL-WEAPMHCESA-N
XLogP3.74
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-[5-(1-aminopropan-2-yl)-2-pyridinyl]-9-hydroxy-7-methyl-6H-benzo[h][1,6]naphthyridin-5-one
CID 171549631
ethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate
CID 54696338
tert-butyl N-[2-[4-(9-methoxy-7-methyl-5-oxo-6H-benzo[f][1,7]naphthyridin-10-yl)phenyl]propyl]carbamate
CID 171549962
ethane;8-hydroxy-6H-1,6-naphthyridin-5-one
CID 91248042
8-hydroxy-6H-1,6-naphthyridin-5-one
CID 57425179
8-hydroxy-6-methylquinoline-5-sulfonic acid
CID 21435774
8-hydroxy-6-methyl-N-[(E)-2-methylbut-2-enyl]-5-[methyl(methylsulfinyl)amino]quinoline-7-carboxamide
CID 143497969
(E)-3-(dimethylamino)-1-(2-hydroxy-4,5-dimethylphenyl)prop-2-en-1-one
CID 12535994
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-8-oxo-5-phenyl-7H-1,7-naphthyridine-6-carboxamide
CID 10458817
5-[[8-(dimethylamino)-7-methylquinolin-5-yl]methyl]-1H-pyrimidine-2,4-dione
CID 12849824
5,7-dimethylquinolin-8-ol
CID 118341298
(5-methylquinolin-8-yl)boronic acid
CID 59606741

Frequently Asked Questions

What is the IUPAC name of 10-[(1Z,3E)-1-(dimethylamino)hexa-1,3,5-trien-3-yl]-9-hydroxy-7-methyl-6H-benzo[f][1,7]naphthyridin-5-one?
The IUPAC name of 10-[(1Z,3E)-1-(dimethylamino)hexa-1,3,5-trien-3-yl]-9-hydroxy-7-methyl-6H-benzo[f][1,7]naphthyridin-5-one (CID 174315282) is 10-[(1Z,3E)-1-(dimethylamino)hexa-1,3,5-trien-3-yl]-9-hydroxy-7-methyl-6H-benzo[f][1,7]naphthyridin-5-one.
What is the SMILES notation for 10-[(1Z,3E)-1-(dimethylamino)hexa-1,3,5-trien-3-yl]-9-hydroxy-7-methyl-6H-benzo[f][1,7]naphthyridin-5-one?
The canonical SMILES for 10-[(1Z,3E)-1-(dimethylamino)hexa-1,3,5-trien-3-yl]-9-hydroxy-7-methyl-6H-benzo[f][1,7]naphthyridin-5-one is C=C/C=C(\C=C/N(C)C)c1c(O)cc(C)c2[nH]c(=O)c3ncccc3c12.
What is the InChIKey of 10-[(1Z,3E)-1-(dimethylamino)hexa-1,3,5-trien-3-yl]-9-hydroxy-7-methyl-6H-benzo[f][1,7]naphthyridin-5-one?
The InChIKey is KZBMUYLMXBOTPL-WEAPMHCESA-N. The full InChI is InChI=1S/C21H21N3O2/c1-5-7-14(9-11-24(3)4)17-16(25)12-13(2)19-18(17)15-8-6-10-22-20(15)21(26)23-19/h5-12,25H,1H2,2-4H3,(H,23,26)/b11-9-,14-7+.
What are the key properties of 10-[(1Z,3E)-1-(dimethylamino)hexa-1,3,5-trien-3-yl]-9-hydroxy-7-methyl-6H-benzo[f][1,7]naphthyridin-5-one?
10-[(1Z,3E)-1-(dimethylamino)hexa-1,3,5-trien-3-yl]-9-hydroxy-7-methyl-6H-benzo[f][1,7]naphthyridin-5-one has a molecular weight of 347.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(1Z,3E)-1-(dimethylamino)hexa-1,3,5-trien-3-yl]-9-hydroxy-7-methyl-6H-benzo[f][1,7]naphthyridin-5-one is sourced from PubChem (CID 174315282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).