N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

C26H34N6O2 — CID 122622882

IUPACN-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCn1cncc1CN1CC(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)Cc2cc(C#N)ccc21
InChIInChI=1S/C26H34N6O2/c1-26(2,3)25(34)31-9-7-19(8-10-31)24(33)29-21-12-20-11-18(13-27)5-6-23(20)32(15-21)16-22-14-28-17-30(22)4/h5-6,11,14,17,19,21H,7-10,12,15-16H2,1-4H3,(H,29,33)
InChIKeyIMMJLTSBUOTVPD-UHFFFAOYSA-N
MW462.60 g/mol
LogP2.62
Rot. Bonds4

About N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (PubChem CID 122622882) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
PubChem CID122622882
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC NameN-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCn1cncc1CN1CC(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)Cc2cc(C#N)ccc21
InChIInChI=1S/C26H34N6O2/c1-26(2,3)25(34)31-9-7-19(8-10-31)24(33)29-21-12-20-11-18(13-27)5-6-23(20)32(15-21)16-22-14-28-17-30(22)4/h5-6,11,14,17,19,21H,7-10,12,15-16H2,1-4H3,(H,29,33)
InChIKeyIMMJLTSBUOTVPD-UHFFFAOYSA-N
XLogP2.62
TPSA94.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[(3-methylimidazol-4-yl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methylamino]-3,4-dihydro-2H-quinoline-6-carbonitrile
CID 118142703
3-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carbonitrile
CID 118138114
N-tert-butyl-2-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(4-fluorophenyl)sulfonylamino]acetamide
CID 11272656
N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide
CID 68580895
N-[6-cyano-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzamide
CID 68580514
N-[(3S)-1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide
CID 68581032
(3R)-1-[(3-methylimidazol-4-yl)methyl]-4-methylsulfonyl-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile;trihydrochloride
CID 139823591
cyclohexyl N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]carbamate
CID 11604237
N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-morpholin-4-ylacetamide
CID 68580995
(3-cyanophenyl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 31711675
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 18121105
N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide
CID 52932493

Frequently Asked Questions

What is the IUPAC name of N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (CID 122622882) is N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is Cn1cncc1CN1CC(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)Cc2cc(C#N)ccc21.
What is the InChIKey of N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The InChIKey is IMMJLTSBUOTVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-26(2,3)25(34)31-9-7-19(8-10-31)24(33)29-21-12-20-11-18(13-27)5-6-23(20)32(15-21)16-22-14-28-17-30(22)4/h5-6,11,14,17,19,21H,7-10,12,15-16H2,1-4H3,(H,29,33).
What are the key properties of N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide has a molecular weight of 462.60 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 122622882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).