(4R)-6-methoxy-N-methyl-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C22H26N2O4 — CID 97122293

IUPAC(4R)-6-methoxy-N-methyl-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1ccc2c(c1)[C@H](C(=O)N(C)CCCOc1cccc(C)c1)CC(=O)N2
InChIInChI=1S/C22H26N2O4/c1-15-6-4-7-17(12-15)28-11-5-10-24(2)22(26)19-14-21(25)23-20-9-8-16(27-3)13-18(19)20/h4,6-9,12-13,19H,5,10-11,14H2,1-3H3,(H,23,25)/t19-/m1/s1
InChIKeyROFPCXMIZFORHW-LJQANCHMSA-N
MW382.46 g/mol
LogP3.36
Rot. Bonds7

About (4R)-6-methoxy-N-methyl-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

(4R)-6-methoxy-N-methyl-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 97122293) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is (4R)-6-methoxy-N-methyl-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-6-methoxy-N-methyl-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID97122293
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name(4R)-6-methoxy-N-methyl-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1ccc2c(c1)[C@H](C(=O)N(C)CCCOc1cccc(C)c1)CC(=O)N2
InChIInChI=1S/C22H26N2O4/c1-15-6-4-7-17(12-15)28-11-5-10-24(2)22(26)19-14-21(25)23-20-9-8-16(27-3)13-18(19)20/h4,6-9,12-13,19H,5,10-11,14H2,1-3H3,(H,23,25)/t19-/m1/s1
InChIKeyROFPCXMIZFORHW-LJQANCHMSA-N
XLogP3.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70758337
(4S)-6-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97132873
(4R)-N-(1,1-dioxothian-4-yl)-6-methoxy-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97146681
(4S)-N-ethyl-6-methoxy-N-(oxan-4-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97155952
N-butyl-6-methoxy-2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 74244678
(4R)-7-fluoro-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 41404978
6-[3-(dimethylamino)propoxy]-4-phenyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 131710541
(3R)-1-cyclopentyl-N-methyl-N-[3-(3-methylphenoxy)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97116300
N-(3-hydroxybutyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 111695611
4-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one
CID 130007478
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134036597
(4S)-6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97147593

Frequently Asked Questions

What is the IUPAC name of (4R)-6-methoxy-N-methyl-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4R)-6-methoxy-N-methyl-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 97122293) is (4R)-6-methoxy-N-methyl-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4R)-6-methoxy-N-methyl-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4R)-6-methoxy-N-methyl-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is COc1ccc2c(c1)[C@H](C(=O)N(C)CCCOc1cccc(C)c1)CC(=O)N2.
What is the InChIKey of (4R)-6-methoxy-N-methyl-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is ROFPCXMIZFORHW-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15-6-4-7-17(12-15)28-11-5-10-24(2)22(26)19-14-21(25)23-20-9-8-16(27-3)13-18(19)20/h4,6-9,12-13,19H,5,10-11,14H2,1-3H3,(H,23,25)/t19-/m1/s1.
What are the key properties of (4R)-6-methoxy-N-methyl-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4R)-6-methoxy-N-methyl-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methoxy-N-methyl-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 97122293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).