N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]cyclopropanecarboxamide

C16H20N3O+ — CID 7402612

IUPACN-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCc1cc2ccccc2[nH+]c1NCCNC(=O)C1CC1
InChIInChI=1S/C16H19N3O/c1-11-10-13-4-2-3-5-14(13)19-15(11)17-8-9-18-16(20)12-6-7-12/h2-5,10,12H,6-9H2,1H3,(H,17,19)(H,18,20)/p+1
InChIKeyCYBHDNQEZUSOLT-UHFFFAOYSA-O
MW270.36 g/mol
LogP1.90
Rot. Bonds5

About N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 7402612) has the molecular formula C16H20N3O+ and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID7402612
Molecular FormulaC16H20N3O+
Molecular Weight270.36 g/mol
Exact Mass270.16
IUPAC NameN-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCc1cc2ccccc2[nH+]c1NCCNC(=O)C1CC1
InChIInChI=1S/C16H19N3O/c1-11-10-13-4-2-3-5-14(13)19-15(11)17-8-9-18-16(20)12-6-7-12/h2-5,10,12H,6-9H2,1H3,(H,17,19)(H,18,20)/p+1
InChIKeyCYBHDNQEZUSOLT-UHFFFAOYSA-O
XLogP1.90
TPSA55.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 3206675
N-[2-(2-amino-3-methylanilino)ethyl]cyclopropanecarboxamide
CID 114041356
N-[2-(phthalazin-1-ylamino)ethyl]cyclopropanecarboxamide
CID 115569585
N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115620732
N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 652221
N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 3221678
N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113383761
N-[2-[1-(1-benzothiophen-2-yl)ethylamino]ethyl]cyclopropanecarboxamide
CID 114910077
N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 75424390
2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid
CID 113481392
N-[2-[(3-cyano-6-methoxyquinolin-1-ium-2-yl)amino]ethyl]cyclobutanecarboxamide
CID 7434779
N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]-2-methylpropanamide
CID 7221290

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]cyclopropanecarboxamide (CID 7402612) is N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]cyclopropanecarboxamide is Cc1cc2ccccc2[nH+]c1NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is CYBHDNQEZUSOLT-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H19N3O/c1-11-10-13-4-2-3-5-14(13)19-15(11)17-8-9-18-16(20)12-6-7-12/h2-5,10,12H,6-9H2,1H3,(H,17,19)(H,18,20)/p+1.
What are the key properties of N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 270.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 7402612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).