N-[[(4aS)-1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-4-fluorobenzamide

C18H21FN2O2 — CID 164639662

IUPACN-[[(4aS)-1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-4-fluorobenzamide
SMILESCN1C(=O)CC[C@]2(CNC(=O)c3ccc(F)cc3)CCCC=C12
InChIInChI=1S/C18H21FN2O2/c1-21-15-4-2-3-10-18(15,11-9-16(21)22)12-20-17(23)13-5-7-14(19)8-6-13/h4-8H,2-3,9-12H2,1H3,(H,20,23)/t18-/m0/s1
InChIKeyVTAWLOGFFUWOGG-SFHVURJKSA-N
MW316.38 g/mol
LogP2.86
Rot. Bonds3

About N-[[(4aS)-1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-4-fluorobenzamide

N-[[(4aS)-1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-4-fluorobenzamide (PubChem CID 164639662) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[[(4aS)-1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[(4aS)-1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-4-fluorobenzamide
PubChem CID164639662
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-[[(4aS)-1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-4-fluorobenzamide
SMILESCN1C(=O)CC[C@]2(CNC(=O)c3ccc(F)cc3)CCCC=C12
InChIInChI=1S/C18H21FN2O2/c1-21-15-4-2-3-10-18(15,11-9-16(21)22)12-20-17(23)13-5-7-14(19)8-6-13/h4-8H,2-3,9-12H2,1H3,(H,20,23)/t18-/m0/s1
InChIKeyVTAWLOGFFUWOGG-SFHVURJKSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[(4aS)-1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-4-fluorobenzamide with MolForge

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Related Compounds

N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopentanecarboxamide
CID 110196539
1-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrrole-2-carboxamide
CID 110196564
2-methoxy-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]acetamide
CID 110196558
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42266020
4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide
CID 47042246
4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide
CID 60571999
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(3-methylpyrrolidin-1-yl)benzamide
CID 166401796
2-methyl-1,3-dioxo-N-[(1-phenylcyclopentyl)methyl]isoindole-5-carboxamide
CID 24586290
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide
CID 27450093
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186

Frequently Asked Questions

What is the IUPAC name of N-[[(4aS)-1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[(4aS)-1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-4-fluorobenzamide (CID 164639662) is N-[[(4aS)-1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[(4aS)-1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[(4aS)-1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-4-fluorobenzamide is CN1C(=O)CC[C@]2(CNC(=O)c3ccc(F)cc3)CCCC=C12.
What is the InChIKey of N-[[(4aS)-1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-4-fluorobenzamide?
The InChIKey is VTAWLOGFFUWOGG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-21-15-4-2-3-10-18(15,11-9-16(21)22)12-20-17(23)13-5-7-14(19)8-6-13/h4-8H,2-3,9-12H2,1H3,(H,20,23)/t18-/m0/s1.
What are the key properties of N-[[(4aS)-1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-4-fluorobenzamide?
N-[[(4aS)-1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-4-fluorobenzamide has a molecular weight of 316.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4aS)-1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 164639662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).