(2R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide;6-(piperazin-1-ylmethyl)pyridin-2-amine

C26H36N6O2 — CID 144701519

IUPAC(2R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide;6-(piperazin-1-ylmethyl)pyridin-2-amine
SMILESCC(=O)N1c2ccc(C(N)=O)cc2CC(C)[C@@H]1C1CC1.Nc1cccc(CN2CCNCC2)n1
InChIInChI=1S/C16H20N2O2.C10H16N4/c1-9-7-13-8-12(16(17)20)5-6-14(13)18(10(2)19)15(9)11-3-4-11;11-10-3-1-2-9(13-10)8-14-6-4-12-5-7-14/h5-6,8-9,11,15H,3-4,7H2,1-2H3,(H2,17,20);1-3,12H,4-8H2,(H2,11,13)/t9?,15-;/m1./s1
InChIKeyQPCNOBPIICRULM-FDDQUTDISA-N
MW464.61 g/mol
LogP2.18
Rot. Bonds4

About (2R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide;6-(piperazin-1-ylmethyl)pyridin-2-amine

(2R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide;6-(piperazin-1-ylmethyl)pyridin-2-amine (PubChem CID 144701519) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is (2R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide;6-(piperazin-1-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name(2R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide;6-(piperazin-1-ylmethyl)pyridin-2-amine
PubChem CID144701519
Molecular FormulaC26H36N6O2
Molecular Weight464.61 g/mol
Exact Mass464.29
IUPAC Name(2R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide;6-(piperazin-1-ylmethyl)pyridin-2-amine
SMILESCC(=O)N1c2ccc(C(N)=O)cc2CC(C)[C@@H]1C1CC1.Nc1cccc(CN2CCNCC2)n1
InChIInChI=1S/C16H20N2O2.C10H16N4/c1-9-7-13-8-12(16(17)20)5-6-14(13)18(10(2)19)15(9)11-3-4-11;11-10-3-1-2-9(13-10)8-14-6-4-12-5-7-14/h5-6,8-9,11,15H,3-4,7H2,1-2H3,(H2,17,20);1-3,12H,4-8H2,(H2,11,13)/t9?,15-;/m1./s1
InChIKeyQPCNOBPIICRULM-FDDQUTDISA-N
XLogP2.18
TPSA117.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide;6-(piperazin-1-ylmethyl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-(4-methylpiperazin-1-yl)-5H-benzo(c)(1,5)naphthyridin-6-one
CID 9796149
8-[butyl(ethyl)amino]-4-(4-acetyl-2-methylphenyl)-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one
CID 24768343
1-(4-{8-[butyl(ethyl)amino]-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-4-yl}-3-methylphenyl)ethan-1-one
CID 24768344
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-3-benzyl-6-methyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 12042269
2-(4-Methyl-4-oxy-piperazin-1-yl)-5H-benzo[c][1,5]naphthyridin-6-one
CID 10979819
Cyclopropyl-[2-(4-cyclopropyl-piperazin-1-yl)-quinolin-6-yl]-methanone
CID 11349921
N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide
CID 11494093
3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylamino)pyridin-2-yl)-(1H)-pyridin-2-one
CID 11611103
3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(cyclopropylamino)pyridin-2-yl)-(1H)-pyridin-2-one
CID 11718919
3-[6-(2-acetylphenyl)-2-aminoquinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
CID 53466062
N-[(5S)-6-[4-(6-Methylpyridin-2-yl)piperazin-1-yl]-6-oxo-5-(phenylformamido)hexyl]prop-2-enamide
CID 71452144
4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 76902203

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide;6-(piperazin-1-ylmethyl)pyridin-2-amine?
The IUPAC name of (2R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide;6-(piperazin-1-ylmethyl)pyridin-2-amine (CID 144701519) is (2R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide;6-(piperazin-1-ylmethyl)pyridin-2-amine.
What is the SMILES notation for (2R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide;6-(piperazin-1-ylmethyl)pyridin-2-amine?
The canonical SMILES for (2R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide;6-(piperazin-1-ylmethyl)pyridin-2-amine is CC(=O)N1c2ccc(C(N)=O)cc2CC(C)[C@@H]1C1CC1.Nc1cccc(CN2CCNCC2)n1.
What is the InChIKey of (2R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide;6-(piperazin-1-ylmethyl)pyridin-2-amine?
The InChIKey is QPCNOBPIICRULM-FDDQUTDISA-N. The full InChI is InChI=1S/C16H20N2O2.C10H16N4/c1-9-7-13-8-12(16(17)20)5-6-14(13)18(10(2)19)15(9)11-3-4-11;11-10-3-1-2-9(13-10)8-14-6-4-12-5-7-14/h5-6,8-9,11,15H,3-4,7H2,1-2H3,(H2,17,20);1-3,12H,4-8H2,(H2,11,13)/t9?,15-;/m1./s1.
What are the key properties of (2R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide;6-(piperazin-1-ylmethyl)pyridin-2-amine?
(2R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide;6-(piperazin-1-ylmethyl)pyridin-2-amine has a molecular weight of 464.61 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide;6-(piperazin-1-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 144701519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).