methyl 1-[(7-methoxy-2-oxo-1-propylquinoline-3-carbonyl)amino]cycloheptane-1-carboxylate

C23H30N2O5 — CID 142970265

IUPACmethyl 1-[(7-methoxy-2-oxo-1-propylquinoline-3-carbonyl)amino]cycloheptane-1-carboxylate
SMILESCCCn1c(=O)c(C(=O)NC2(C(=O)OC)CCCCCC2)cc2ccc(OC)cc21
InChIInChI=1S/C23H30N2O5/c1-4-13-25-19-15-17(29-2)10-9-16(19)14-18(21(25)27)20(26)24-23(22(28)30-3)11-7-5-6-8-12-23/h9-10,14-15H,4-8,11-13H2,1-3H3,(H,24,26)
InChIKeyLEHKLORNSFJGFB-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.42
Rot. Bonds6

About methyl 1-[(7-methoxy-2-oxo-1-propylquinoline-3-carbonyl)amino]cycloheptane-1-carboxylate

methyl 1-[(7-methoxy-2-oxo-1-propylquinoline-3-carbonyl)amino]cycloheptane-1-carboxylate (PubChem CID 142970265) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is methyl 1-[(7-methoxy-2-oxo-1-propylquinoline-3-carbonyl)amino]cycloheptane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(7-methoxy-2-oxo-1-propylquinoline-3-carbonyl)amino]cycloheptane-1-carboxylate
PubChem CID142970265
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Namemethyl 1-[(7-methoxy-2-oxo-1-propylquinoline-3-carbonyl)amino]cycloheptane-1-carboxylate
SMILESCCCn1c(=O)c(C(=O)NC2(C(=O)OC)CCCCCC2)cc2ccc(OC)cc21
InChIInChI=1S/C23H30N2O5/c1-4-13-25-19-15-17(29-2)10-9-16(19)14-18(21(25)27)20(26)24-23(22(28)30-3)11-7-5-6-8-12-23/h9-10,14-15H,4-8,11-13H2,1-3H3,(H,24,26)
InChIKeyLEHKLORNSFJGFB-UHFFFAOYSA-N
XLogP3.42
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-[(7-methoxy-2-oxo-1-propylquinoline-3-carbonyl)amino]cycloheptane-1-carboxylate with MolForge

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Related Compounds

methanol;7-methoxy-N-(1-methylcycloheptyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 142970358
1-[(7-methoxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]cyclooctane-1-carboxylic acid
CID 142970273
methyl 1-[(8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.5.1.05,15]pentadeca-3,5(15),6,8-tetraene-3-carbonyl)amino]cycloheptane-1-carboxylate
CID 142970105
methyl 1-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]cyclooctane-1-carboxylate
CID 54486368
methyl 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 86921740
1-[(2,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351073
methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 54890159
methyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate
CID 55561141
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-hexyl-7-methoxyquinolin-2-one
CID 142970389
methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate
CID 46515245
methyl 1-[(5-amino-2-methylbenzoyl)amino]cyclohexane-1-carboxylate
CID 120619655
methyl 1-[(2-aminobenzoyl)amino]cyclohexane-1-carboxylate
CID 139798702

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(7-methoxy-2-oxo-1-propylquinoline-3-carbonyl)amino]cycloheptane-1-carboxylate?
The IUPAC name of methyl 1-[(7-methoxy-2-oxo-1-propylquinoline-3-carbonyl)amino]cycloheptane-1-carboxylate (CID 142970265) is methyl 1-[(7-methoxy-2-oxo-1-propylquinoline-3-carbonyl)amino]cycloheptane-1-carboxylate.
What is the SMILES notation for methyl 1-[(7-methoxy-2-oxo-1-propylquinoline-3-carbonyl)amino]cycloheptane-1-carboxylate?
The canonical SMILES for methyl 1-[(7-methoxy-2-oxo-1-propylquinoline-3-carbonyl)amino]cycloheptane-1-carboxylate is CCCn1c(=O)c(C(=O)NC2(C(=O)OC)CCCCCC2)cc2ccc(OC)cc21.
What is the InChIKey of methyl 1-[(7-methoxy-2-oxo-1-propylquinoline-3-carbonyl)amino]cycloheptane-1-carboxylate?
The InChIKey is LEHKLORNSFJGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-4-13-25-19-15-17(29-2)10-9-16(19)14-18(21(25)27)20(26)24-23(22(28)30-3)11-7-5-6-8-12-23/h9-10,14-15H,4-8,11-13H2,1-3H3,(H,24,26).
What are the key properties of methyl 1-[(7-methoxy-2-oxo-1-propylquinoline-3-carbonyl)amino]cycloheptane-1-carboxylate?
methyl 1-[(7-methoxy-2-oxo-1-propylquinoline-3-carbonyl)amino]cycloheptane-1-carboxylate has a molecular weight of 414.50 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(7-methoxy-2-oxo-1-propylquinoline-3-carbonyl)amino]cycloheptane-1-carboxylate is sourced from PubChem (CID 142970265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).