methyl 2-[[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]methyl]cyclohexane-1-carboxylate

C24H31N3O3 — CID 108745296

IUPACmethyl 2-[[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCCN1CCc2nc3ccccc3c(C(=O)NCC3CCCCC3C(=O)OC)c2C1
InChIInChI=1S/C24H31N3O3/c1-3-27-13-12-21-19(15-27)22(18-10-6-7-11-20(18)26-21)23(28)25-14-16-8-4-5-9-17(16)24(29)30-2/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3,(H,25,28)
InChIKeyFCXCBCJXHWDJEQ-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.32
Rot. Bonds5

About methyl 2-[[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]methyl]cyclohexane-1-carboxylate

methyl 2-[[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]methyl]cyclohexane-1-carboxylate (PubChem CID 108745296) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is methyl 2-[[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]methyl]cyclohexane-1-carboxylate
PubChem CID108745296
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Namemethyl 2-[[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCCN1CCc2nc3ccccc3c(C(=O)NCC3CCCCC3C(=O)OC)c2C1
InChIInChI=1S/C24H31N3O3/c1-3-27-13-12-21-19(15-27)22(18-10-6-7-11-20(18)26-21)23(28)25-14-16-8-4-5-9-17(16)24(29)30-2/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3,(H,25,28)
InChIKeyFCXCBCJXHWDJEQ-UHFFFAOYSA-N
XLogP3.32
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]methyl]cyclohexane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-ethyl-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 126771498
2-ethyl-N-(3-methylbutyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804812
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804895
N-(3,4-dimethoxyphenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804845
N-(2,6-difluorophenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792780
4-amino-2-[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]-4-oxobutanoic acid
CID 108804809
2-ethyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804890
N-(1-adamantyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792860
N-(4,5-dimethoxy-2-methylphenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 26209459
2-ethyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804826
methyl 3-[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]-2-hydroxybenzoate
CID 108745839
N-(2-cyanophenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792712

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-[[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]methyl]cyclohexane-1-carboxylate (CID 108745296) is methyl 2-[[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-[[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-[[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]methyl]cyclohexane-1-carboxylate is CCN1CCc2nc3ccccc3c(C(=O)NCC3CCCCC3C(=O)OC)c2C1.
What is the InChIKey of methyl 2-[[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is FCXCBCJXHWDJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-3-27-13-12-21-19(15-27)22(18-10-6-7-11-20(18)26-21)23(28)25-14-16-8-4-5-9-17(16)24(29)30-2/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3,(H,25,28).
What are the key properties of methyl 2-[[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]methyl]cyclohexane-1-carboxylate?
methyl 2-[[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]methyl]cyclohexane-1-carboxylate has a molecular weight of 409.53 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 108745296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).