N-[3-(cyclohexylamino)-3-oxopropyl]-6-ethyl-2-methylquinoline-4-carboxamide

C22H29N3O2 — CID 70726114

IUPACN-[3-(cyclohexylamino)-3-oxopropyl]-6-ethyl-2-methylquinoline-4-carboxamide
SMILESCCc1ccc2nc(C)cc(C(=O)NCCC(=O)NC3CCCCC3)c2c1
InChIInChI=1S/C22H29N3O2/c1-3-16-9-10-20-18(14-16)19(13-15(2)24-20)22(27)23-12-11-21(26)25-17-7-5-4-6-8-17/h9-10,13-14,17H,3-8,11-12H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyMTMISGBOCWGQAX-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.67
Rot. Bonds6

About N-[3-(cyclohexylamino)-3-oxopropyl]-6-ethyl-2-methylquinoline-4-carboxamide

N-[3-(cyclohexylamino)-3-oxopropyl]-6-ethyl-2-methylquinoline-4-carboxamide (PubChem CID 70726114) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[3-(cyclohexylamino)-3-oxopropyl]-6-ethyl-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexylamino)-3-oxopropyl]-6-ethyl-2-methylquinoline-4-carboxamide
PubChem CID70726114
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[3-(cyclohexylamino)-3-oxopropyl]-6-ethyl-2-methylquinoline-4-carboxamide
SMILESCCc1ccc2nc(C)cc(C(=O)NCCC(=O)NC3CCCCC3)c2c1
InChIInChI=1S/C22H29N3O2/c1-3-16-9-10-20-18(14-16)19(13-15(2)24-20)22(27)23-12-11-21(26)25-17-7-5-4-6-8-17/h9-10,13-14,17H,3-8,11-12H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyMTMISGBOCWGQAX-UHFFFAOYSA-N
XLogP3.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-2-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]quinoline-4-carboxamide
CID 70768616
N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide
CID 9082220
N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 42780061
N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide
CID 46409117
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
N-[(6-ethyl-2-methylquinolin-4-yl)methyl]cyclopentanamine
CID 82448232
6-ethyl-N-[2-hydroxy-1-(thian-4-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 70732226
N-cyclopentyl-3-(4-ethylanilino)propanamide
CID 109013496
N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide
CID 62664736
N-(1,1-dioxothian-4-yl)-6-ethyl-N,2-dimethylquinoline-4-carboxamide
CID 70707240
N-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide
CID 60552327
N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332948

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-6-ethyl-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-6-ethyl-2-methylquinoline-4-carboxamide (CID 70726114) is N-[3-(cyclohexylamino)-3-oxopropyl]-6-ethyl-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(cyclohexylamino)-3-oxopropyl]-6-ethyl-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(cyclohexylamino)-3-oxopropyl]-6-ethyl-2-methylquinoline-4-carboxamide is CCc1ccc2nc(C)cc(C(=O)NCCC(=O)NC3CCCCC3)c2c1.
What is the InChIKey of N-[3-(cyclohexylamino)-3-oxopropyl]-6-ethyl-2-methylquinoline-4-carboxamide?
The InChIKey is MTMISGBOCWGQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-16-9-10-20-18(14-16)19(13-15(2)24-20)22(27)23-12-11-21(26)25-17-7-5-4-6-8-17/h9-10,13-14,17H,3-8,11-12H2,1-2H3,(H,23,27)(H,25,26).
What are the key properties of N-[3-(cyclohexylamino)-3-oxopropyl]-6-ethyl-2-methylquinoline-4-carboxamide?
N-[3-(cyclohexylamino)-3-oxopropyl]-6-ethyl-2-methylquinoline-4-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylamino)-3-oxopropyl]-6-ethyl-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 70726114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).