N-[3-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]prop-2-enamide

C19H20N2O — CID 167627861

IUPACN-[3-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(N2CCCc3ccc(C)cc32)c1
InChIInChI=1S/C19H20N2O/c1-3-19(22)20-16-7-4-8-17(13-16)21-11-5-6-15-10-9-14(2)12-18(15)21/h3-4,7-10,12-13H,1,5-6,11H2,2H3,(H,20,22)
InChIKeyNIYQUDXNZNSIMU-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.20
Rot. Bonds3

About N-[3-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]prop-2-enamide

N-[3-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]prop-2-enamide (PubChem CID 167627861) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[3-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]prop-2-enamide
PubChem CID167627861
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-[3-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(N2CCCc3ccc(C)cc32)c1
InChIInChI=1S/C19H20N2O/c1-3-19(22)20-16-7-4-8-17(13-16)21-11-5-6-15-10-9-14(2)12-18(15)21/h3-4,7-10,12-13H,1,5-6,11H2,2H3,(H,20,22)
InChIKeyNIYQUDXNZNSIMU-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679439
N-[3-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
N-(3-tert-butylphenyl)prop-2-enamide
CID 59788882
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]prop-2-enamide
CID 166415169
N-[3-(2-anilino-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)phenyl]prop-2-enamide
CID 44594119
tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 72710357
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
2-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanamide
CID 120587349
N-[3-[3-[4-(4-methylphenyl)phenyl]-2-oxo-5,6-dihydroimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide
CID 145296036
N-(3-acetamidophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109219711
1-[3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one
CID 27829776
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-(3-methylphenyl)oxamide
CID 7586652

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]prop-2-enamide?
The IUPAC name of N-[3-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]prop-2-enamide (CID 167627861) is N-[3-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for N-[3-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(N2CCCc3ccc(C)cc32)c1.
What is the InChIKey of N-[3-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]prop-2-enamide?
The InChIKey is NIYQUDXNZNSIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-3-19(22)20-16-7-4-8-17(13-16)21-11-5-6-15-10-9-14(2)12-18(15)21/h3-4,7-10,12-13H,1,5-6,11H2,2H3,(H,20,22).
What are the key properties of N-[3-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]prop-2-enamide?
N-[3-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]prop-2-enamide has a molecular weight of 292.38 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 167627861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).