N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)prop-2-enamide

C14H16N2O2 — CID 139021191

IUPACN-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)C(C)CC(=O)N2C
InChIInChI=1S/C14H16N2O2/c1-4-13(17)15-10-5-6-12-11(8-10)9(2)7-14(18)16(12)3/h4-6,8-9H,1,7H2,2-3H3,(H,15,17)
InChIKeyFHFCHMSUQOJENC-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.28
Rot. Bonds2

About N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)prop-2-enamide

N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)prop-2-enamide (PubChem CID 139021191) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)prop-2-enamide
PubChem CID139021191
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)C(C)CC(=O)N2C
InChIInChI=1S/C14H16N2O2/c1-4-13(17)15-10-5-6-12-11(8-10)9(2)7-14(18)16(12)3/h4-6,8-9H,1,7H2,2-3H3,(H,15,17)
InChIKeyFHFCHMSUQOJENC-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.28
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-(3-benzyl-1-methyl-2-oxo-3H-indol-5-yl)prop-2-enamide
CID 169260706
N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methyl-1-oxoisochromene-3-carboxamide
CID 166364671
N-(3-chloro-4-cyanophenyl)-2-[(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]propanamide
CID 154832626
4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 166375464
N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide
CID 139018785
2-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-5-(prop-2-enoylamino)benzamide
CID 167790768
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 166422115
N-[4-(3,4-dimethyl-5-oxopiperazine-1-carbonyl)phenyl]prop-2-enamide
CID 154794332
2-chloro-5-(prop-2-enoylamino)benzamide
CID 43699183
7-fluoro-1,4-dimethyl-3,4-dihydroquinolin-2-one
CID 142301736
[2-[(dimethylamino)methyl]-5-(prop-2-enoylamino)phenyl]boronic acid
CID 46739539
N-(4-amino-3-methylphenyl)prop-2-enamide
CID 90104581

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)prop-2-enamide?
The IUPAC name of N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)prop-2-enamide (CID 139021191) is N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)prop-2-enamide.
What is the SMILES notation for N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)prop-2-enamide?
The canonical SMILES for N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)prop-2-enamide is C=CC(=O)Nc1ccc2c(c1)C(C)CC(=O)N2C.
What is the InChIKey of N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)prop-2-enamide?
The InChIKey is FHFCHMSUQOJENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-4-13(17)15-10-5-6-12-11(8-10)9(2)7-14(18)16(12)3/h4-6,8-9H,1,7H2,2-3H3,(H,15,17).
What are the key properties of N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)prop-2-enamide?
N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)prop-2-enamide has a molecular weight of 244.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)prop-2-enamide is sourced from PubChem (CID 139021191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).