N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide

C20H26N4O — CID 133454577

IUPACN-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide
SMILESCN1CCCC(CNc2cc(C(=O)NC3CC3)c3ccccc3n2)C1
InChIInChI=1S/C20H26N4O/c1-24-10-4-5-14(13-24)12-21-19-11-17(20(25)22-15-8-9-15)16-6-2-3-7-18(16)23-19/h2-3,6-7,11,14-15H,4-5,8-10,12-13H2,1H3,(H,21,23)(H,22,25)
InChIKeyQGJIIMBPVCOCRM-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.88
Rot. Bonds5

About N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide

N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide (PubChem CID 133454577) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide
PubChem CID133454577
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide
SMILESCN1CCCC(CNc2cc(C(=O)NC3CC3)c3ccccc3n2)C1
InChIInChI=1S/C20H26N4O/c1-24-10-4-5-14(13-24)12-21-19-11-17(20(25)22-15-8-9-15)16-6-2-3-7-18(16)23-19/h2-3,6-7,11,14-15H,4-5,8-10,12-13H2,1H3,(H,21,23)(H,22,25)
InChIKeyQGJIIMBPVCOCRM-UHFFFAOYSA-N
XLogP2.88
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[(1-methylsulfonylpiperidin-3-yl)amino]quinoline-4-carboxamide
CID 133274243
2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide
CID 133275936
N-cyclopropyl-2-[3-(2-hydroxycyclohexyl)propylamino]quinoline-4-carboxamide
CID 133385061
N-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62656504
2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid
CID 122058339
N-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide
CID 139000419
N-cyclopropyl-2-[2-(6-methyl-3-pyridinyl)ethylamino]quinoline-4-carboxamide
CID 133361337
N-cyclopropyl-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]quinoline-4-carboxamide
CID 138998187
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-N-cyclopropylquinoline-4-carboxamide
CID 112802306
2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid
CID 113463887
N-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide
CID 112812673
N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide
CID 15990902

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide (CID 133454577) is N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide is CN1CCCC(CNc2cc(C(=O)NC3CC3)c3ccccc3n2)C1.
What is the InChIKey of N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide?
The InChIKey is QGJIIMBPVCOCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-24-10-4-5-14(13-24)12-21-19-11-17(20(25)22-15-8-9-15)16-6-2-3-7-18(16)23-19/h2-3,6-7,11,14-15H,4-5,8-10,12-13H2,1H3,(H,21,23)(H,22,25).
What are the key properties of N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide?
N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide is sourced from PubChem (CID 133454577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).