2-[cyclohexylcarbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium

C22H33N4O2+ — CID 7141127

IUPAC2-[cyclohexylcarbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium
SMILESCc1ccc2cc(CN(CC[NH+](C)C)C(=O)NC3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C22H32N4O2/c1-16-9-10-17-14-18(21(27)24-20(17)13-16)15-26(12-11-25(2)3)22(28)23-19-7-5-4-6-8-19/h9-10,13-14,19H,4-8,11-12,15H2,1-3H3,(H,23,28)(H,24,27)/p+1
InChIKeyULBICGAHBRBIBE-UHFFFAOYSA-O
MW385.53 g/mol
LogP1.83
Rot. Bonds6

About 2-[cyclohexylcarbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium

2-[cyclohexylcarbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium (PubChem CID 7141127) has the molecular formula C22H33N4O2+ and a molecular weight of 385.53 g/mol. Its IUPAC name is 2-[cyclohexylcarbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[cyclohexylcarbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium
PubChem CID7141127
Molecular FormulaC22H33N4O2+
Molecular Weight385.53 g/mol
Exact Mass385.26
IUPAC Name2-[cyclohexylcarbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium
SMILESCc1ccc2cc(CN(CC[NH+](C)C)C(=O)NC3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C22H32N4O2/c1-16-9-10-17-14-18(21(27)24-20(17)13-16)15-26(12-11-25(2)3)22(28)23-19-7-5-4-6-8-19/h9-10,13-14,19H,4-8,11-12,15H2,1-3H3,(H,23,28)(H,24,27)/p+1
InChIKeyULBICGAHBRBIBE-UHFFFAOYSA-O
XLogP1.83
TPSA69.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[cyclohexylcarbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium with MolForge

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Related Compounds

3-cyclohexyl-1-(2-hydroxyethyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1138137
3-cyclohexyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea
CID 3195105
1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324549
3-[(4-fluorophenyl)carbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium
CID 7141135
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]urea
CID 1437400
3-cyclohexyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea
CID 7099467
dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl]azanium
CID 7141144
3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one
CID 863818
3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)urea
CID 3172399
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1430556
N-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide
CID 1399223
3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)urea
CID 1138139

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylcarbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium?
The IUPAC name of 2-[cyclohexylcarbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium (CID 7141127) is 2-[cyclohexylcarbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[cyclohexylcarbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[cyclohexylcarbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium is Cc1ccc2cc(CN(CC[NH+](C)C)C(=O)NC3CCCCC3)c(=O)[nH]c2c1.
What is the InChIKey of 2-[cyclohexylcarbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium?
The InChIKey is ULBICGAHBRBIBE-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H32N4O2/c1-16-9-10-17-14-18(21(27)24-20(17)13-16)15-26(12-11-25(2)3)22(28)23-19-7-5-4-6-8-19/h9-10,13-14,19H,4-8,11-12,15H2,1-3H3,(H,23,28)(H,24,27)/p+1.
What are the key properties of 2-[cyclohexylcarbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium?
2-[cyclohexylcarbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium has a molecular weight of 385.53 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylcarbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium is sourced from PubChem (CID 7141127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).