1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide

C20H23N3O2 — CID 109144816

IUPAC1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
SMILESO=C(Nc1cccc2cccnc12)C1CCC(C(=O)NC2CC2)CC1
InChIInChI=1S/C20H23N3O2/c24-19(22-16-10-11-16)14-6-8-15(9-7-14)20(25)23-17-5-1-3-13-4-2-12-21-18(13)17/h1-5,12,14-16H,6-11H2,(H,22,24)(H,23,25)
InChIKeyQAHPFTZEAWKGGP-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.26
Rot. Bonds4

About 1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide

1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide (PubChem CID 109144816) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
PubChem CID109144816
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
SMILESO=C(Nc1cccc2cccnc12)C1CCC(C(=O)NC2CC2)CC1
InChIInChI=1S/C20H23N3O2/c24-19(22-16-10-11-16)14-6-8-15(9-7-14)20(25)23-17-5-1-3-13-4-2-12-21-18(13)17/h1-5,12,14-16H,6-11H2,(H,22,24)(H,23,25)
InChIKeyQAHPFTZEAWKGGP-UHFFFAOYSA-N
XLogP3.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide
CID 127145528
4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide
CID 20895152
1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008383
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283
2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 135023876
4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-quinolin-8-ylcyclohexane-1-carboxamide
CID 45267204
1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109044532
N-[5-(quinolin-8-ylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036290
1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008386
N-quinolin-8-yloxane-2-carboxamide
CID 110863491
(2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride
CID 120631987

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide (CID 109144816) is 1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide is O=C(Nc1cccc2cccnc12)C1CCC(C(=O)NC2CC2)CC1.
What is the InChIKey of 1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide?
The InChIKey is QAHPFTZEAWKGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(22-16-10-11-16)14-6-8-15(9-7-14)20(25)23-17-5-1-3-13-4-2-12-21-18(13)17/h1-5,12,14-16H,6-11H2,(H,22,24)(H,23,25).
What are the key properties of 1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide?
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).