N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C21H22N2O4 — CID 1453430

IUPACN-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(CCO)Cc2cc3cc(C)ccc3[nH]c2=O)cc1
InChIInChI=1S/C21H22N2O4/c1-14-3-8-19-16(11-14)12-17(20(25)22-19)13-23(9-10-24)21(26)15-4-6-18(27-2)7-5-15/h3-8,11-12,24H,9-10,13H2,1-2H3,(H,22,25)
InChIKeyPVTTVPKKXIFEKC-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.48
Rot. Bonds6

About N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 1453430) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID1453430
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(CCO)Cc2cc3cc(C)ccc3[nH]c2=O)cc1
InChIInChI=1S/C21H22N2O4/c1-14-3-8-19-16(11-14)12-17(20(25)22-19)13-23(9-10-24)21(26)15-4-6-18(27-2)7-5-15/h3-8,11-12,24H,9-10,13H2,1-2H3,(H,22,25)
InChIKeyPVTTVPKKXIFEKC-UHFFFAOYSA-N
XLogP2.48
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide with MolForge

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Related Compounds

N-(3-hydroxypropyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3193899
4-ethoxy-N-(2-hydroxyethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1453431
N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1168875
N-(2-hydroxyethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 857219
4-chloro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1384915
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1459110
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1453537
3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide
CID 1391861
N-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1452932
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 1459255
N-[(4-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 43813417
N-(4-methoxyphenyl)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1415542

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 1453430) is N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is COc1ccc(C(=O)N(CCO)Cc2cc3cc(C)ccc3[nH]c2=O)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is PVTTVPKKXIFEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14-3-8-19-16(11-14)12-17(20(25)22-19)13-23(9-10-24)21(26)15-4-6-18(27-2)7-5-15/h3-8,11-12,24H,9-10,13H2,1-2H3,(H,22,25).
What are the key properties of N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 366.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 1453430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).