N-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide

C22H26N2O3 — CID 171912632

IUPACN-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide
SMILESCCCOc1ccc(C2CC(=O)Nc3cc(NC(=O)CC)c(C)cc32)cc1
InChIInChI=1S/C22H26N2O3/c1-4-10-27-16-8-6-15(7-9-16)17-12-22(26)24-20-13-19(23-21(25)5-2)14(3)11-18(17)20/h6-9,11,13,17H,4-5,10,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyUDIRVQGZGHDLHT-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.61
Rot. Bonds6

About N-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide

N-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide (PubChem CID 171912632) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide.

Molecular Properties

Compound NameN-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide
PubChem CID171912632
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide
SMILESCCCOc1ccc(C2CC(=O)Nc3cc(NC(=O)CC)c(C)cc32)cc1
InChIInChI=1S/C22H26N2O3/c1-4-10-27-16-8-6-15(7-9-16)17-12-22(26)24-20-13-19(23-21(25)5-2)14(3)11-18(17)20/h6-9,11,13,17H,4-5,10,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyUDIRVQGZGHDLHT-UHFFFAOYSA-N
XLogP4.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(9S)-9-(4-propoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 7263181
N-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide
CID 169416972
N-[(4R)-4-(2,1,3-benzoxadiazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-(dimethylamino)acetamide
CID 95123950
N-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide
CID 169410752
(4S)-3-methyl-4-(4-propoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136915644
N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide
CID 50982799
methyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate
CID 95127709
ethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 95123061
2-[[(4R)-5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 126334359
3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione
CID 3071135
(4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 27518377
3-methyl-N-[6-methyl-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]benzamide
CID 50966036

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide?
The IUPAC name of N-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide (CID 171912632) is N-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide.
What is the SMILES notation for N-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide?
The canonical SMILES for N-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide is CCCOc1ccc(C2CC(=O)Nc3cc(NC(=O)CC)c(C)cc32)cc1.
What is the InChIKey of N-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide?
The InChIKey is UDIRVQGZGHDLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-10-27-16-8-6-15(7-9-16)17-12-22(26)24-20-13-19(23-21(25)5-2)14(3)11-18(17)20/h6-9,11,13,17H,4-5,10,12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide?
N-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide has a molecular weight of 366.46 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide is sourced from PubChem (CID 171912632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).