N-[4-[(2R)-1-acetyl-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]formamide

C21H24N2O2 — CID 166139248

IUPACN-[4-[(2R)-1-acetyl-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]formamide
SMILESCC[C@@H]1C(C)Cc2cc(-c3ccc(NC=O)cc3)ccc2N1C(C)=O
InChIInChI=1S/C21H24N2O2/c1-4-20-14(2)11-18-12-17(7-10-21(18)23(20)15(3)25)16-5-8-19(9-6-16)22-13-24/h5-10,12-14,20H,4,11H2,1-3H3,(H,22,24)/t14?,20-/m1/s1
InChIKeyKGOHRKHAXLBGFJ-YBMSBYLISA-N
MW336.44 g/mol
LogP4.25
Rot. Bonds4

About N-[4-[(2R)-1-acetyl-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]formamide

N-[4-[(2R)-1-acetyl-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]formamide (PubChem CID 166139248) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[4-[(2R)-1-acetyl-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[(2R)-1-acetyl-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]formamide
PubChem CID166139248
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[4-[(2R)-1-acetyl-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]formamide
SMILESCC[C@@H]1C(C)Cc2cc(-c3ccc(NC=O)cc3)ccc2N1C(C)=O
InChIInChI=1S/C21H24N2O2/c1-4-20-14(2)11-18-12-17(7-10-21(18)23(20)15(3)25)16-5-8-19(9-6-16)22-13-24/h5-10,12-14,20H,4,11H2,1-3H3,(H,22,24)/t14?,20-/m1/s1
InChIKeyKGOHRKHAXLBGFJ-YBMSBYLISA-N
XLogP4.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[(2S,3R)-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325722
(2S)-1-acetyl-2-ethyl-3-methyl-N-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 139325836
tert-butyl 4-[(2S,3R)-1-acetyl-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 144702086
1-[(2S)-6-[4-(aminomethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 71291078
ethane;1-[(2S)-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;(Z)-pent-2-en-2-amine
CID 144853632
(2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 139326413
1-[6-(4-hydroperoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123143174
tert-butyl N-[2-[[2-[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetyl]amino]ethyl]carbamate
CID 129145057
1-[(2S,3R)-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325834
1-[(2S)-2-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139326002
ethyl (2S)-1-acetyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 139325772
(3S)-4-acetyl-7-[4-(ethylsulfonylamino)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylic acid
CID 118079566

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-1-acetyl-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]formamide?
The IUPAC name of N-[4-[(2R)-1-acetyl-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]formamide (CID 166139248) is N-[4-[(2R)-1-acetyl-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]formamide.
What is the SMILES notation for N-[4-[(2R)-1-acetyl-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]formamide?
The canonical SMILES for N-[4-[(2R)-1-acetyl-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]formamide is CC[C@@H]1C(C)Cc2cc(-c3ccc(NC=O)cc3)ccc2N1C(C)=O.
What is the InChIKey of N-[4-[(2R)-1-acetyl-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]formamide?
The InChIKey is KGOHRKHAXLBGFJ-YBMSBYLISA-N. The full InChI is InChI=1S/C21H24N2O2/c1-4-20-14(2)11-18-12-17(7-10-21(18)23(20)15(3)25)16-5-8-19(9-6-16)22-13-24/h5-10,12-14,20H,4,11H2,1-3H3,(H,22,24)/t14?,20-/m1/s1.
What are the key properties of N-[4-[(2R)-1-acetyl-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]formamide?
N-[4-[(2R)-1-acetyl-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]formamide has a molecular weight of 336.44 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-1-acetyl-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]formamide is sourced from PubChem (CID 166139248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).