6-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-propoxypyridine-3-carboxamide

C21H25N3O3 — CID 124743707

IUPAC6-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-propoxypyridine-3-carboxamide
SMILESCCCOc1nc(C)ccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H25N3O3/c1-4-11-27-21-17(8-5-13(2)22-21)20(26)23-14(3)15-6-9-18-16(12-15)7-10-19(25)24-18/h5-6,8-9,12,14H,4,7,10-11H2,1-3H3,(H,23,26)(H,24,25)/t14-/m0/s1
InChIKeyZDWMRADPKCJCAV-AWEZNQCLSA-N
MW367.45 g/mol
LogP3.55
Rot. Bonds6

About 6-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-propoxypyridine-3-carboxamide

6-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-propoxypyridine-3-carboxamide (PubChem CID 124743707) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-propoxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-propoxypyridine-3-carboxamide
PubChem CID124743707
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name6-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-propoxypyridine-3-carboxamide
SMILESCCCOc1nc(C)ccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H25N3O3/c1-4-11-27-21-17(8-5-13(2)22-21)20(26)23-14(3)15-6-9-18-16(12-15)7-10-19(25)24-18/h5-6,8-9,12,14H,4,7,10-11H2,1-3H3,(H,23,26)(H,24,25)/t14-/m0/s1
InChIKeyZDWMRADPKCJCAV-AWEZNQCLSA-N
XLogP3.55
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dimethyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51118084
3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide
CID 60516922
2-(2-methoxyethylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide;hydrochloride
CID 119729824
1-[(6-methyl-3-pyridinyl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94115891
(Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide
CID 94827781
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94048141
1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51120389
1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]indole-4-carboxamide
CID 56823797
1-(4-chlorophenyl)-5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2,4-triazole-3-carboxamide
CID 78890854
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide
CID 166179612
2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 51089323
2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate
CID 94647057

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-propoxypyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-propoxypyridine-3-carboxamide (CID 124743707) is 6-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-propoxypyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-propoxypyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-propoxypyridine-3-carboxamide is CCCOc1nc(C)ccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-propoxypyridine-3-carboxamide?
The InChIKey is ZDWMRADPKCJCAV-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-11-27-21-17(8-5-13(2)22-21)20(26)23-14(3)15-6-9-18-16(12-15)7-10-19(25)24-18/h5-6,8-9,12,14H,4,7,10-11H2,1-3H3,(H,23,26)(H,24,25)/t14-/m0/s1.
What are the key properties of 6-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-propoxypyridine-3-carboxamide?
6-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-propoxypyridine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-propoxypyridine-3-carboxamide is sourced from PubChem (CID 124743707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).