N-cyclopropyl-2-[2-(6-methyl-3-pyridinyl)ethylamino]quinoline-4-carboxamide

C21H22N4O — CID 133361337

IUPACN-cyclopropyl-2-[2-(6-methyl-3-pyridinyl)ethylamino]quinoline-4-carboxamide
SMILESCc1ccc(CCNc2cc(C(=O)NC3CC3)c3ccccc3n2)cn1
InChIInChI=1S/C21H22N4O/c1-14-6-7-15(13-23-14)10-11-22-20-12-18(21(26)24-16-8-9-16)17-4-2-3-5-19(17)25-20/h2-7,12-13,16H,8-11H2,1H3,(H,22,25)(H,24,26)
InChIKeyZVRDQLBKEPVCAV-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.49
Rot. Bonds6

About N-cyclopropyl-2-[2-(6-methyl-3-pyridinyl)ethylamino]quinoline-4-carboxamide

N-cyclopropyl-2-[2-(6-methyl-3-pyridinyl)ethylamino]quinoline-4-carboxamide (PubChem CID 133361337) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(6-methyl-3-pyridinyl)ethylamino]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(6-methyl-3-pyridinyl)ethylamino]quinoline-4-carboxamide
PubChem CID133361337
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-cyclopropyl-2-[2-(6-methyl-3-pyridinyl)ethylamino]quinoline-4-carboxamide
SMILESCc1ccc(CCNc2cc(C(=O)NC3CC3)c3ccccc3n2)cn1
InChIInChI=1S/C21H22N4O/c1-14-6-7-15(13-23-14)10-11-22-20-12-18(21(26)24-16-8-9-16)17-4-2-3-5-19(17)25-20/h2-7,12-13,16H,8-11H2,1H3,(H,22,25)(H,24,26)
InChIKeyZVRDQLBKEPVCAV-UHFFFAOYSA-N
XLogP3.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide
CID 133275936
N-cyclopropyl-2-[3-(2-hydroxycyclohexyl)propylamino]quinoline-4-carboxamide
CID 133385061
2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid
CID 122058339
N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide
CID 133454577
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-N-cyclopropylquinoline-4-carboxamide
CID 112802306
N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide
CID 15990902
N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide
CID 20854533
N-cyclopropyl-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]quinoline-4-carboxamide
CID 60527078
N-(azepan-4-yl)-2-methylquinoline-4-carboxamide
CID 105058000
N-cyclopropyl-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]quinoline-4-carboxamide
CID 133388065
N-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide
CID 139000419
2-(4-ethoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide
CID 20854497

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(6-methyl-3-pyridinyl)ethylamino]quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[2-(6-methyl-3-pyridinyl)ethylamino]quinoline-4-carboxamide (CID 133361337) is N-cyclopropyl-2-[2-(6-methyl-3-pyridinyl)ethylamino]quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(6-methyl-3-pyridinyl)ethylamino]quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[2-(6-methyl-3-pyridinyl)ethylamino]quinoline-4-carboxamide is Cc1ccc(CCNc2cc(C(=O)NC3CC3)c3ccccc3n2)cn1.
What is the InChIKey of N-cyclopropyl-2-[2-(6-methyl-3-pyridinyl)ethylamino]quinoline-4-carboxamide?
The InChIKey is ZVRDQLBKEPVCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-6-7-15(13-23-14)10-11-22-20-12-18(21(26)24-16-8-9-16)17-4-2-3-5-19(17)25-20/h2-7,12-13,16H,8-11H2,1H3,(H,22,25)(H,24,26).
What are the key properties of N-cyclopropyl-2-[2-(6-methyl-3-pyridinyl)ethylamino]quinoline-4-carboxamide?
N-cyclopropyl-2-[2-(6-methyl-3-pyridinyl)ethylamino]quinoline-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(6-methyl-3-pyridinyl)ethylamino]quinoline-4-carboxamide is sourced from PubChem (CID 133361337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).