N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclohexanecarboxamide

C26H29FN2O2 — CID 1458884

IUPACN-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclohexanecarboxamide
SMILESCc1cc2cc(CN(Cc3ccc(F)cc3)C(=O)C3CCCCC3)c(=O)[nH]c2cc1C
InChIInChI=1S/C26H29FN2O2/c1-17-12-21-14-22(25(30)28-24(21)13-18(17)2)16-29(15-19-8-10-23(27)11-9-19)26(31)20-6-4-3-5-7-20/h8-14,20H,3-7,15-16H2,1-2H3,(H,28,30)
InChIKeyMPLAEIDVULTQAC-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.39
Rot. Bonds5

About N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclohexanecarboxamide

N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclohexanecarboxamide (PubChem CID 1458884) has the molecular formula C26H29FN2O2 and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclohexanecarboxamide
PubChem CID1458884
Molecular FormulaC26H29FN2O2
Molecular Weight420.53 g/mol
Exact Mass420.22
IUPAC NameN-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclohexanecarboxamide
SMILESCc1cc2cc(CN(Cc3ccc(F)cc3)C(=O)C3CCCCC3)c(=O)[nH]c2cc1C
InChIInChI=1S/C26H29FN2O2/c1-17-12-21-14-22(25(30)28-24(21)13-18(17)2)16-29(15-19-8-10-23(27)11-9-19)26(31)20-6-4-3-5-7-20/h8-14,20H,3-7,15-16H2,1-2H3,(H,28,30)
InChIKeyMPLAEIDVULTQAC-UHFFFAOYSA-N
XLogP5.39
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclohexanecarboxamide with MolForge

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Related Compounds

3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]urea
CID 1462434
N-(2-hydroxyethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide
CID 858511
1-[(4-chlorophenyl)methyl]-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1462436
1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]thiourea
CID 1141215
N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 3865537
N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide
CID 1459648
N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide
CID 91410350
N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 110190860
1-cyclohexyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethylthiourea
CID 1136925
3-benzyl-1-cyclohexyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3171907
[4-[[cyclohexanecarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate
CID 4009140
1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 3171981

Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclohexanecarboxamide (CID 1458884) is N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclohexanecarboxamide is Cc1cc2cc(CN(Cc3ccc(F)cc3)C(=O)C3CCCCC3)c(=O)[nH]c2cc1C.
What is the InChIKey of N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclohexanecarboxamide?
The InChIKey is MPLAEIDVULTQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O2/c1-17-12-21-14-22(25(30)28-24(21)13-18(17)2)16-29(15-19-8-10-23(27)11-9-19)26(31)20-6-4-3-5-7-20/h8-14,20H,3-7,15-16H2,1-2H3,(H,28,30).
What are the key properties of N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclohexanecarboxamide?
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclohexanecarboxamide has a molecular weight of 420.53 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 1458884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).