2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid

C18H20N2O3 — CID 138524484

IUPAC2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid
SMILESCc1cc2c(nc1C)CC(C(C)C)n1cc(C(=O)O)c(=O)cc1-2
InChIInChI=1S/C18H20N2O3/c1-9(2)15-6-14-12(5-10(3)11(4)19-14)16-7-17(21)13(18(22)23)8-20(15)16/h5,7-9,15H,6H2,1-4H3,(H,22,23)
InChIKeyUFZBZIWUJMJFJU-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.98
Rot. Bonds2

About 2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid

2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid (PubChem CID 138524484) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid
PubChem CID138524484
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid
SMILESCc1cc2c(nc1C)CC(C(C)C)n1cc(C(=O)O)c(=O)cc1-2
InChIInChI=1S/C18H20N2O3/c1-9(2)15-6-14-12(5-10(3)11(4)19-14)16-7-17(21)13(18(22)23)8-20(15)16/h5,7-9,15H,6H2,1-4H3,(H,22,23)
InChIKeyUFZBZIWUJMJFJU-UHFFFAOYSA-N
XLogP2.98
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid;3-hydroxy-2-methoxy-10-oxospiro[5H-pyrido[1,2-h][1,7]naphthyridine-6,1'-cyclobutane]-9-carboxylic acid;propane
CID 142554068
(7R)-3-hydroxy-2-methyl-11-oxo-7-propan-2-yl-6,7-dihydropyrido[1,2-d][1,4]benzoxazepine-10-carboxylic acid
CID 139462160
9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251739
2-methoxy-9-oxo-5-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylic acid
CID 139462161
9-bromo-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 146535093
10-fluoro-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251877
4-chloro-5-methoxy-14-oxo-10-propan-2-yl-8-oxa-6,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,12-pentaene-13-carboxylic acid
CID 139462293
(7R)-3-(3-methoxypropoxy)-2-methyl-11-oxo-7-propan-2-yl-6,7-dihydropyrido[1,2-d][1,4]benzoxazepine-10-carboxylic acid
CID 139462332
(6S)-2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
CID 139462206
2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
CID 139462144
6,10-dimethyl-9-(methylamino)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 123897145
10-methoxy-2-oxo-9-(6-oxo-2-azaspiro[3.3]heptan-2-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 155675837

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid?
The IUPAC name of 2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid (CID 138524484) is 2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid.
What is the SMILES notation for 2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid?
The canonical SMILES for 2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid is Cc1cc2c(nc1C)CC(C(C)C)n1cc(C(=O)O)c(=O)cc1-2.
What is the InChIKey of 2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid?
The InChIKey is UFZBZIWUJMJFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-9(2)15-6-14-12(5-10(3)11(4)19-14)16-7-17(21)13(18(22)23)8-20(15)16/h5,7-9,15H,6H2,1-4H3,(H,22,23).
What are the key properties of 2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid?
2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid is sourced from PubChem (CID 138524484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).