N-[1-[(8-fluoroquinolin-3-yl)amino]-1-oxopropan-2-yl]cyclohexanecarboxamide

C19H22FN3O2 — CID 139020749

IUPACN-[1-[(8-fluoroquinolin-3-yl)amino]-1-oxopropan-2-yl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)C(=O)Nc1cnc2c(F)cccc2c1
InChIInChI=1S/C19H22FN3O2/c1-12(22-19(25)13-6-3-2-4-7-13)18(24)23-15-10-14-8-5-9-16(20)17(14)21-11-15/h5,8-13H,2-4,6-7H2,1H3,(H,22,25)(H,23,24)
InChIKeyPDAMIFUDRRNLEJ-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.40
Rot. Bonds4

About N-[1-[(8-fluoroquinolin-3-yl)amino]-1-oxopropan-2-yl]cyclohexanecarboxamide

N-[1-[(8-fluoroquinolin-3-yl)amino]-1-oxopropan-2-yl]cyclohexanecarboxamide (PubChem CID 139020749) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[1-[(8-fluoroquinolin-3-yl)amino]-1-oxopropan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[(8-fluoroquinolin-3-yl)amino]-1-oxopropan-2-yl]cyclohexanecarboxamide
PubChem CID139020749
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[1-[(8-fluoroquinolin-3-yl)amino]-1-oxopropan-2-yl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)C(=O)Nc1cnc2c(F)cccc2c1
InChIInChI=1S/C19H22FN3O2/c1-12(22-19(25)13-6-3-2-4-7-13)18(24)23-15-10-14-8-5-9-16(20)17(14)21-11-15/h5,8-13H,2-4,6-7H2,1H3,(H,22,25)(H,23,24)
InChIKeyPDAMIFUDRRNLEJ-UHFFFAOYSA-N
XLogP3.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94194364
N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 50875684
N-(8-fluoroquinolin-3-yl)-4-methylpiperazine-1-carboxamide
CID 155961191
N-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 94117942
N-[(2R)-1-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 95146686
2-[2-(cyclopentanecarbonylamino)propanoylamino]-2-naphthalen-2-ylacetic acid
CID 120543509
1-(8-fluoroquinolin-3-yl)ethanone
CID 75355413
2-(cyclobutyloxymethyl)-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide
CID 138478424
N-[(2S)-1-(3-fluoro-4-methoxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide
CID 95175589
N-[1-oxo-1-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propan-2-yl]cyclopentanecarboxamide
CID 51119825
N'-(8-fluoroquinolin-3-yl)-N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]oxamide
CID 139020440
N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 47055132

Frequently Asked Questions

What is the IUPAC name of N-[1-[(8-fluoroquinolin-3-yl)amino]-1-oxopropan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[(8-fluoroquinolin-3-yl)amino]-1-oxopropan-2-yl]cyclohexanecarboxamide (CID 139020749) is N-[1-[(8-fluoroquinolin-3-yl)amino]-1-oxopropan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[(8-fluoroquinolin-3-yl)amino]-1-oxopropan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[(8-fluoroquinolin-3-yl)amino]-1-oxopropan-2-yl]cyclohexanecarboxamide is CC(NC(=O)C1CCCCC1)C(=O)Nc1cnc2c(F)cccc2c1.
What is the InChIKey of N-[1-[(8-fluoroquinolin-3-yl)amino]-1-oxopropan-2-yl]cyclohexanecarboxamide?
The InChIKey is PDAMIFUDRRNLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-12(22-19(25)13-6-3-2-4-7-13)18(24)23-15-10-14-8-5-9-16(20)17(14)21-11-15/h5,8-13H,2-4,6-7H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-[(8-fluoroquinolin-3-yl)amino]-1-oxopropan-2-yl]cyclohexanecarboxamide?
N-[1-[(8-fluoroquinolin-3-yl)amino]-1-oxopropan-2-yl]cyclohexanecarboxamide has a molecular weight of 343.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(8-fluoroquinolin-3-yl)amino]-1-oxopropan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 139020749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).