1-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide

C25H33N3O — CID 53325079

IUPAC1-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC1(C)CCC(NCc2ccc(N3CCCc4cc(C(N)=O)ccc43)cc2)CC1
InChIInChI=1S/C25H33N3O/c1-25(2)13-11-21(12-14-25)27-17-18-5-8-22(9-6-18)28-15-3-4-19-16-20(24(26)29)7-10-23(19)28/h5-10,16,21,27H,3-4,11-15,17H2,1-2H3,(H2,26,29)
InChIKeyQCELLVWEWPFFJJ-UHFFFAOYSA-N
MW391.56 g/mol
LogP4.93
Rot. Bonds5

About 1-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide

1-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 53325079) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is 1-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID53325079
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC Name1-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC1(C)CCC(NCc2ccc(N3CCCc4cc(C(N)=O)ccc43)cc2)CC1
InChIInChI=1S/C25H33N3O/c1-25(2)13-11-21(12-14-25)27-17-18-5-8-22(9-6-18)28-15-3-4-19-16-20(24(26)29)7-10-23(19)28/h5-10,16,21,27H,3-4,11-15,17H2,1-2H3,(H2,26,29)
InChIKeyQCELLVWEWPFFJJ-UHFFFAOYSA-N
XLogP4.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide (CID 53325079) is 1-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide is CC1(C)CCC(NCc2ccc(N3CCCc4cc(C(N)=O)ccc43)cc2)CC1.
What is the InChIKey of 1-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is QCELLVWEWPFFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-25(2)13-11-21(12-14-25)27-17-18-5-8-22(9-6-18)28-15-3-4-19-16-20(24(26)29)7-10-23(19)28/h5-10,16,21,27H,3-4,11-15,17H2,1-2H3,(H2,26,29).
What are the key properties of 1-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
1-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 391.56 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 53325079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).