N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide

C25H31N3O2 — CID 167099451

IUPACN-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide
SMILESCc1ccc2nc(C(C)(C)C)cc(NC3CCC(NC(=O)c4ccoc4)CC3)c2c1
InChIInChI=1S/C25H31N3O2/c1-16-5-10-21-20(13-16)22(14-23(28-21)25(2,3)4)26-18-6-8-19(9-7-18)27-24(29)17-11-12-30-15-17/h5,10-15,18-19H,6-9H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyAFTHFDKROZLGFP-UHFFFAOYSA-N
MW405.54 g/mol
LogP5.59
Rot. Bonds4

About N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide

N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide (PubChem CID 167099451) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide
PubChem CID167099451
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide
SMILESCc1ccc2nc(C(C)(C)C)cc(NC3CCC(NC(=O)c4ccoc4)CC3)c2c1
InChIInChI=1S/C25H31N3O2/c1-16-5-10-21-20(13-16)22(14-23(28-21)25(2,3)4)26-18-6-8-19(9-7-18)27-24(29)17-11-12-30-15-17/h5,10-15,18-19H,6-9H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyAFTHFDKROZLGFP-UHFFFAOYSA-N
XLogP5.59
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide with MolForge

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Related Compounds

N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 167099552
N-[4-[[2-(1,1-difluoroethyl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 167099245
N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 167099145
N-cyclopropylfuran-3-carboxamide
CID 60698418
N-[4-[(2-tert-butylquinolin-4-yl)amino]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
CID 167099235
N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide
CID 167099537
4-(6,7-dihydroquinolin-2-ylmethoxy)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]benzamide
CID 167099148
4-(1,3-dioxoisoindol-2-yl)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]butanamide
CID 167099517
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 163267125
N-[4-[[2-(2-fluoropropan-2-yl)quinolin-4-yl]amino]cyclohexyl]-1-benzofuran-3-carboxamide
CID 167099214
CID 174011113
CID 174011113
4-iodo-1-methyl-N-[4-[(6-methyl-2-propan-2-ylquinolin-4-yl)amino]cyclohexyl]pyrazole-3-carboxamide
CID 167099239

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide?
The IUPAC name of N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide (CID 167099451) is N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide.
What is the SMILES notation for N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide?
The canonical SMILES for N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide is Cc1ccc2nc(C(C)(C)C)cc(NC3CCC(NC(=O)c4ccoc4)CC3)c2c1.
What is the InChIKey of N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide?
The InChIKey is AFTHFDKROZLGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-16-5-10-21-20(13-16)22(14-23(28-21)25(2,3)4)26-18-6-8-19(9-7-18)27-24(29)17-11-12-30-15-17/h5,10-15,18-19H,6-9H2,1-4H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide?
N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide is sourced from PubChem (CID 167099451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).