(2R,4R)-N-[(2R)-butan-2-yl]-1-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

C24H34N4O2 — CID 98730473

IUPAC(2R,4R)-N-[(2R)-butan-2-yl]-1-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@@H]1C[C@@H](C)N(CC(=O)NC2(C#N)CCCCC2)c2ccccc21
InChIInChI=1S/C24H34N4O2/c1-4-17(2)26-23(30)20-14-18(3)28(21-11-7-6-10-19(20)21)15-22(29)27-24(16-25)12-8-5-9-13-24/h6-7,10-11,17-18,20H,4-5,8-9,12-15H2,1-3H3,(H,26,30)(H,27,29)/t17-,18-,20-/m1/s1
InChIKeyHNDPMLFETDRIHF-QWFCFKBJSA-N
MW410.56 g/mol
LogP3.63
Rot. Bonds6

About (2R,4R)-N-[(2R)-butan-2-yl]-1-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

(2R,4R)-N-[(2R)-butan-2-yl]-1-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (PubChem CID 98730473) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is (2R,4R)-N-[(2R)-butan-2-yl]-1-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-[(2R)-butan-2-yl]-1-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
PubChem CID98730473
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name(2R,4R)-N-[(2R)-butan-2-yl]-1-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@@H]1C[C@@H](C)N(CC(=O)NC2(C#N)CCCCC2)c2ccccc21
InChIInChI=1S/C24H34N4O2/c1-4-17(2)26-23(30)20-14-18(3)28(21-11-7-6-10-19(20)21)15-22(29)27-24(16-25)12-8-5-9-13-24/h6-7,10-11,17-18,20H,4-5,8-9,12-15H2,1-3H3,(H,26,30)(H,27,29)/t17-,18-,20-/m1/s1
InChIKeyHNDPMLFETDRIHF-QWFCFKBJSA-N
XLogP3.63
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,4R)-N-[(2R)-butan-2-yl]-1-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide with MolForge

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Related Compounds

(2R,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]-3,4-dihydro-2H-quinoline-4-carboxamide
CID 98730493
(2R,4R)-N-[(2S)-butan-2-yl]-1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 100893412
N-(1-cyanocyclohexyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 41084125
(2S,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide
CID 52519660
N-butan-2-yl-1-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 51129413
N-(1-cyanocyclopentyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 4824530
2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55538320
(2R,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxamide
CID 98730563
N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 86914892
N-butan-2-yl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 47106290
N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide
CID 51106356
N-(1-cyanocyclohexyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 51227395

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-[(2R)-butan-2-yl]-1-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The IUPAC name of (2R,4R)-N-[(2R)-butan-2-yl]-1-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (CID 98730473) is (2R,4R)-N-[(2R)-butan-2-yl]-1-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide.
What is the SMILES notation for (2R,4R)-N-[(2R)-butan-2-yl]-1-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The canonical SMILES for (2R,4R)-N-[(2R)-butan-2-yl]-1-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide is CC[C@@H](C)NC(=O)[C@@H]1C[C@@H](C)N(CC(=O)NC2(C#N)CCCCC2)c2ccccc21.
What is the InChIKey of (2R,4R)-N-[(2R)-butan-2-yl]-1-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The InChIKey is HNDPMLFETDRIHF-QWFCFKBJSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-4-17(2)26-23(30)20-14-18(3)28(21-11-7-6-10-19(20)21)15-22(29)27-24(16-25)12-8-5-9-13-24/h6-7,10-11,17-18,20H,4-5,8-9,12-15H2,1-3H3,(H,26,30)(H,27,29)/t17-,18-,20-/m1/s1.
What are the key properties of (2R,4R)-N-[(2R)-butan-2-yl]-1-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
(2R,4R)-N-[(2R)-butan-2-yl]-1-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-[(2R)-butan-2-yl]-1-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide is sourced from PubChem (CID 98730473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).