4-(methylamino)-N-(3-methylcyclopentyl)quinoline-2-carboxamide

C17H21N3O — CID 114540556

IUPAC4-(methylamino)-N-(3-methylcyclopentyl)quinoline-2-carboxamide
SMILESCNc1cc(C(=O)NC2CCC(C)C2)nc2ccccc12
InChIInChI=1S/C17H21N3O/c1-11-7-8-12(9-11)19-17(21)16-10-15(18-2)13-5-3-4-6-14(13)20-16/h3-6,10-12H,7-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOCJMLMANGVZDBC-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.19
Rot. Bonds3

About 4-(methylamino)-N-(3-methylcyclopentyl)quinoline-2-carboxamide

4-(methylamino)-N-(3-methylcyclopentyl)quinoline-2-carboxamide (PubChem CID 114540556) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(methylamino)-N-(3-methylcyclopentyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-(3-methylcyclopentyl)quinoline-2-carboxamide
PubChem CID114540556
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-(methylamino)-N-(3-methylcyclopentyl)quinoline-2-carboxamide
SMILESCNc1cc(C(=O)NC2CCC(C)C2)nc2ccccc12
InChIInChI=1S/C17H21N3O/c1-11-7-8-12(9-11)19-17(21)16-10-15(18-2)13-5-3-4-6-14(13)20-16/h3-6,10-12H,7-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOCJMLMANGVZDBC-UHFFFAOYSA-N
XLogP3.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-methylcyclopentyl)quinoline-2-carboxamide
CID 114545564
N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide
CID 63375251
4-amino-N-(3-methoxycyclopentyl)quinoline-2-carboxamide
CID 103099401
N-cyclopropyl-N-ethyl-4-(methylamino)quinoline-2-carboxamide
CID 63375436
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(methylamino)quinoline-2-carboxamide
CID 63375460
6-hydrazinyl-N-(3-methylcyclopentyl)pyridine-2-carboxamide
CID 114540991
4-(methylamino)-N-(2-methylpyrazol-3-yl)quinoline-2-carboxamide
CID 63375551
4-(methylamino)-N-(1,2,4-triazin-3-yl)quinoline-2-carboxamide
CID 114389478
N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)quinoline-2-carboxamide
CID 82940781
4-amino-N-piperidin-4-ylquinoline-2-carboxamide
CID 71141710
4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide
CID 63375555
6-amino-N-(3-methylcyclopentyl)pyridazine-3-carboxamide
CID 114540616

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(3-methylcyclopentyl)quinoline-2-carboxamide?
The IUPAC name of 4-(methylamino)-N-(3-methylcyclopentyl)quinoline-2-carboxamide (CID 114540556) is 4-(methylamino)-N-(3-methylcyclopentyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-(3-methylcyclopentyl)quinoline-2-carboxamide?
The canonical SMILES for 4-(methylamino)-N-(3-methylcyclopentyl)quinoline-2-carboxamide is CNc1cc(C(=O)NC2CCC(C)C2)nc2ccccc12.
What is the InChIKey of 4-(methylamino)-N-(3-methylcyclopentyl)quinoline-2-carboxamide?
The InChIKey is OCJMLMANGVZDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-7-8-12(9-11)19-17(21)16-10-15(18-2)13-5-3-4-6-14(13)20-16/h3-6,10-12H,7-9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 4-(methylamino)-N-(3-methylcyclopentyl)quinoline-2-carboxamide?
4-(methylamino)-N-(3-methylcyclopentyl)quinoline-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(3-methylcyclopentyl)quinoline-2-carboxamide is sourced from PubChem (CID 114540556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).