(4S)-N,N,1,4-tetramethyl-4H-quinoline-3-carboxamide

C14H18N2O — CID 135044258

IUPAC(4S)-N,N,1,4-tetramethyl-4H-quinoline-3-carboxamide
SMILESC[C@@H]1C(C(=O)N(C)C)=CN(C)c2ccccc21
InChIInChI=1S/C14H18N2O/c1-10-11-7-5-6-8-13(11)16(4)9-12(10)14(17)15(2)3/h5-10H,1-4H3/t10-/m0/s1
InChIKeyUSJHRFKCLPHLRY-JTQLQIEISA-N
MW230.31 g/mol
LogP2.21
Rot. Bonds1

About (4S)-N,N,1,4-tetramethyl-4H-quinoline-3-carboxamide

(4S)-N,N,1,4-tetramethyl-4H-quinoline-3-carboxamide (PubChem CID 135044258) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (4S)-N,N,1,4-tetramethyl-4H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(4S)-N,N,1,4-tetramethyl-4H-quinoline-3-carboxamide
PubChem CID135044258
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(4S)-N,N,1,4-tetramethyl-4H-quinoline-3-carboxamide
SMILESC[C@@H]1C(C(=O)N(C)C)=CN(C)c2ccccc21
InChIInChI=1S/C14H18N2O/c1-10-11-7-5-6-8-13(11)16(4)9-12(10)14(17)15(2)3/h5-10H,1-4H3/t10-/m0/s1
InChIKeyUSJHRFKCLPHLRY-JTQLQIEISA-N
XLogP2.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-(4-Butyl-1-piperidinyl)propyl)-3,4-dihydro-2(1H)-quinolinone
CID 10236758
2-Hexyl-5-pentylpyrazolo[4,3-c]quinolin-3-one
CID 118577936
2,5-Dipentylpyrazolo[4,3-c]quinolin-3-one
CID 118577959
1-[4-[Benzyl(methyl)amino]butyl]-3,4-dihydroquinolin-2-one
CID 134152664
1-[3-(4-Methylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one
CID 137640511
1-[3-(4-Pentylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one
CID 137645938
1-[3-(4-Propylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one
CID 137661377
2-methyl-N-(2-methylphenyl)-1-oxo-N-propyl-1,2-dihydroisoquinoline-4-carboxamide
CID 15987720
3,5-Diacetyl-1,4-diphenyl-1,4-dihydropyridine
CID 617712
4-(beta)methyl-3,4,5,6-Tetrahydrobenzo[c]quinolizin-3-(4aH)-one
CID 12969972
Benzamide, 4-(dimethylamino)-N,N-dimethyl-
CID 140851
1-(3,4-Dihydroquinolin-1(2H)-yl)-2-methylpentan-1-one
CID 3052514

Frequently Asked Questions

What is the IUPAC name of (4S)-N,N,1,4-tetramethyl-4H-quinoline-3-carboxamide?
The IUPAC name of (4S)-N,N,1,4-tetramethyl-4H-quinoline-3-carboxamide (CID 135044258) is (4S)-N,N,1,4-tetramethyl-4H-quinoline-3-carboxamide.
What is the SMILES notation for (4S)-N,N,1,4-tetramethyl-4H-quinoline-3-carboxamide?
The canonical SMILES for (4S)-N,N,1,4-tetramethyl-4H-quinoline-3-carboxamide is C[C@@H]1C(C(=O)N(C)C)=CN(C)c2ccccc21.
What is the InChIKey of (4S)-N,N,1,4-tetramethyl-4H-quinoline-3-carboxamide?
The InChIKey is USJHRFKCLPHLRY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-11-7-5-6-8-13(11)16(4)9-12(10)14(17)15(2)3/h5-10H,1-4H3/t10-/m0/s1.
What are the key properties of (4S)-N,N,1,4-tetramethyl-4H-quinoline-3-carboxamide?
(4S)-N,N,1,4-tetramethyl-4H-quinoline-3-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,N,1,4-tetramethyl-4H-quinoline-3-carboxamide is sourced from PubChem (CID 135044258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).