N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide

C18H23N3O — CID 3206675

IUPACN-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCc1cc2cc(C)c(NCCNC(=O)C3CC3)nc2cc1C
InChIInChI=1S/C18H23N3O/c1-11-8-15-9-13(3)17(21-16(15)10-12(11)2)19-6-7-20-18(22)14-4-5-14/h8-10,14H,4-7H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyRZKBXUBYMSJJQH-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.10
Rot. Bonds5

About N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 3206675) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID3206675
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCc1cc2cc(C)c(NCCNC(=O)C3CC3)nc2cc1C
InChIInChI=1S/C18H23N3O/c1-11-8-15-9-13(3)17(21-16(15)10-12(11)2)19-6-7-20-18(22)14-4-5-14/h8-10,14H,4-7H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyRZKBXUBYMSJJQH-UHFFFAOYSA-N
XLogP3.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 3221678
N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 652221
N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 7402612
N-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 105367149
N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115620732
N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 113412171
2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid
CID 113481392
N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]cyclopropanecarboxamide
CID 4523986
N-[2-[(3,5-dibromo-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 113481404
N-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide
CID 3221729
N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]-2-methoxyacetamide
CID 647352
N-[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 113481443

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide (CID 3206675) is N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide is Cc1cc2cc(C)c(NCCNC(=O)C3CC3)nc2cc1C.
What is the InChIKey of N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is RZKBXUBYMSJJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-11-8-15-9-13(3)17(21-16(15)10-12(11)2)19-6-7-20-18(22)14-4-5-14/h8-10,14H,4-7H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 3206675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).