N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide

C16H19N3O — CID 62664736

IUPACN-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCNC2CC2)c2ccccc2n1
InChIInChI=1S/C16H19N3O/c1-11-10-14(13-4-2-3-5-15(13)19-11)16(20)18-9-8-17-12-6-7-12/h2-5,10,12,17H,6-9H2,1H3,(H,18,20)
InChIKeySJUFRNBJZLFXJZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.03
Rot. Bonds5

About N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide

N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide (PubChem CID 62664736) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide
PubChem CID62664736
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCNC2CC2)c2ccccc2n1
InChIInChI=1S/C16H19N3O/c1-11-10-14(13-4-2-3-5-15(13)19-11)16(20)18-9-8-17-12-6-7-12/h2-5,10,12,17H,6-9H2,1H3,(H,18,20)
InChIKeySJUFRNBJZLFXJZ-UHFFFAOYSA-N
XLogP2.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.03
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-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 166181784
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
N-(5-iodopentyl)-2-methylquinoline-4-carboxamide
CID 107322663
(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 107834591
2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide
CID 79689593
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide
CID 2105530
N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide
CID 115643532
N-(azepan-4-yl)-2-methylquinoline-4-carboxamide
CID 105058000
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120944201
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide
CID 2564973

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide (CID 62664736) is N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NCCNC2CC2)c2ccccc2n1.
What is the InChIKey of N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide?
The InChIKey is SJUFRNBJZLFXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-10-14(13-4-2-3-5-15(13)19-11)16(20)18-9-8-17-12-6-7-12/h2-5,10,12,17H,6-9H2,1H3,(H,18,20).
What are the key properties of N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide?
N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 62664736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).