N-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-7-yl)-4-phenyl-3-(piperidin-1-ylmethyl)cyclohexa-1,5-diene-1-carboxamide

C30H35N3O2 — CID 126635435

IUPACN-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-7-yl)-4-phenyl-3-(piperidin-1-ylmethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESCC1(C)Cc2ccc(NC(=O)C3=CC(CN4CCCCC4)C(c4ccccc4)C=C3)cc2NC1=O
InChIInChI=1S/C30H35N3O2/c1-30(2)19-23-11-13-25(18-27(23)32-29(30)35)31-28(34)22-12-14-26(21-9-5-3-6-10-21)24(17-22)20-33-15-7-4-8-16-33/h3,5-6,9-14,17-18,24,26H,4,7-8,15-16,19-20H2,1-2H3,(H,31,34)(H,32,35)
InChIKeyRECMTMSROOFUHI-UHFFFAOYSA-N
MW469.63 g/mol
LogP5.53
Rot. Bonds5

About N-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-7-yl)-4-phenyl-3-(piperidin-1-ylmethyl)cyclohexa-1,5-diene-1-carboxamide

N-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-7-yl)-4-phenyl-3-(piperidin-1-ylmethyl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 126635435) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-7-yl)-4-phenyl-3-(piperidin-1-ylmethyl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-7-yl)-4-phenyl-3-(piperidin-1-ylmethyl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID126635435
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC NameN-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-7-yl)-4-phenyl-3-(piperidin-1-ylmethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESCC1(C)Cc2ccc(NC(=O)C3=CC(CN4CCCCC4)C(c4ccccc4)C=C3)cc2NC1=O
InChIInChI=1S/C30H35N3O2/c1-30(2)19-23-11-13-25(18-27(23)32-29(30)35)31-28(34)22-12-14-26(21-9-5-3-6-10-21)24(17-22)20-33-15-7-4-8-16-33/h3,5-6,9-14,17-18,24,26H,4,7-8,15-16,19-20H2,1-2H3,(H,31,34)(H,32,35)
InChIKeyRECMTMSROOFUHI-UHFFFAOYSA-N
XLogP5.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-7-yl)-4-phenyl-3-(piperidin-1-ylmethyl)cyclohexa-1,5-diene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-6-[(2-oxo-3-phenylpyrrolidin-1-yl)amino]-1,4-dihydroquinolin-2-one
CID 170261812
2-methyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide
CID 110405476
N-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(piperidin-1-ylmethyl)-1,3-dioxan-2-yl]phenyl]benzamide
CID 4133604
3,3-dimethyl-2-oxo-N-phenyl-1H-indole-6-carboxamide
CID 14624056
N-(2-methyl-2,3-dihydro-1,3-benzothiazol-5-yl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide
CID 126635585
1-benzoyl-N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)piperidine-4-carboxamide
CID 176914765
N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[(3S)-2-oxo-3-phenylpiperidin-1-yl]acetamide
CID 25020151
1-(3-chlorophenyl)-3-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)urea
CID 30378122
phenyl N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)carbamate
CID 54087633
3-[1-[[6-(phenylcarbamoylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 70037789
N-(3-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2874394
1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]azepane-2-carboxamide
CID 131900931

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-7-yl)-4-phenyl-3-(piperidin-1-ylmethyl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-7-yl)-4-phenyl-3-(piperidin-1-ylmethyl)cyclohexa-1,5-diene-1-carboxamide (CID 126635435) is N-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-7-yl)-4-phenyl-3-(piperidin-1-ylmethyl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-7-yl)-4-phenyl-3-(piperidin-1-ylmethyl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-7-yl)-4-phenyl-3-(piperidin-1-ylmethyl)cyclohexa-1,5-diene-1-carboxamide is CC1(C)Cc2ccc(NC(=O)C3=CC(CN4CCCCC4)C(c4ccccc4)C=C3)cc2NC1=O.
What is the InChIKey of N-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-7-yl)-4-phenyl-3-(piperidin-1-ylmethyl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is RECMTMSROOFUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-30(2)19-23-11-13-25(18-27(23)32-29(30)35)31-28(34)22-12-14-26(21-9-5-3-6-10-21)24(17-22)20-33-15-7-4-8-16-33/h3,5-6,9-14,17-18,24,26H,4,7-8,15-16,19-20H2,1-2H3,(H,31,34)(H,32,35).
What are the key properties of N-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-7-yl)-4-phenyl-3-(piperidin-1-ylmethyl)cyclohexa-1,5-diene-1-carboxamide?
N-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-7-yl)-4-phenyl-3-(piperidin-1-ylmethyl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 469.63 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-7-yl)-4-phenyl-3-(piperidin-1-ylmethyl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 126635435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).