methyl 4-(2-butylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carboxylate

C21H26N2O3 — CID 12818472

IUPACmethyl 4-(2-butylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carboxylate
SMILESCCCCc1ccccc1C1C(C(=O)OC)=C(C)NC2=C1C(=O)CNC2
InChIInChI=1S/C21H26N2O3/c1-4-5-8-14-9-6-7-10-15(14)19-18(21(25)26-3)13(2)23-16-11-22-12-17(24)20(16)19/h6-7,9-10,19,22-23H,4-5,8,11-12H2,1-3H3
InChIKeyPFWLLCCYFZEOJA-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.59
Rot. Bonds5

About methyl 4-(2-butylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carboxylate

methyl 4-(2-butylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carboxylate (PubChem CID 12818472) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is methyl 4-(2-butylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-butylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carboxylate
PubChem CID12818472
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Namemethyl 4-(2-butylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carboxylate
SMILESCCCCc1ccccc1C1C(C(=O)OC)=C(C)NC2=C1C(=O)CNC2
InChIInChI=1S/C21H26N2O3/c1-4-5-8-14-9-6-7-10-15(14)19-18(21(25)26-3)13(2)23-16-11-22-12-17(24)20(16)19/h6-7,9-10,19,22-23H,4-5,8,11-12H2,1-3H3
InChIKeyPFWLLCCYFZEOJA-UHFFFAOYSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-(2-butylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carboxylate with MolForge

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Related Compounds

methyl (4S,7S)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 51399302
methyl 7-benzyl-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate
CID 12818455
2-methoxyethyl 4-(2-butoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 3132443
methyl (4S)-2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1049412
methyl (4R,7S)-7-(4-methoxyphenyl)-2-methyl-4-naphthalen-1-yl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1050118
2-ethoxyethyl 4-(2-butoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2847969
pentyl 4-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 3105965
methyl (4R,7R)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1125034
methyl (4S,7R)-4-(2-chlorophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1359789
methyl 4-(2-chlorophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2863656
butyl 4-(2-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2848281
methyl (4R,7S)-7-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 51399269

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-butylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carboxylate?
The IUPAC name of methyl 4-(2-butylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carboxylate (CID 12818472) is methyl 4-(2-butylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(2-butylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 4-(2-butylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carboxylate is CCCCc1ccccc1C1C(C(=O)OC)=C(C)NC2=C1C(=O)CNC2.
What is the InChIKey of methyl 4-(2-butylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carboxylate?
The InChIKey is PFWLLCCYFZEOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-5-8-14-9-6-7-10-15(14)19-18(21(25)26-3)13(2)23-16-11-22-12-17(24)20(16)19/h6-7,9-10,19,22-23H,4-5,8,11-12H2,1-3H3.
What are the key properties of methyl 4-(2-butylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carboxylate?
methyl 4-(2-butylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carboxylate has a molecular weight of 354.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-butylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carboxylate is sourced from PubChem (CID 12818472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).