N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C23H29N3O4 — CID 56565579

IUPACN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCN(C)CCOc1ccc(CNC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C23H29N3O4/c1-23(2)12-19-17(20(27)13-23)11-18(22(29)25-19)21(28)24-14-15-5-7-16(8-6-15)30-10-9-26(3)4/h5-8,11H,9-10,12-14H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyIXMIGVQPRBSDCV-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.40
Rot. Bonds7

About N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56565579) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID56565579
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCN(C)CCOc1ccc(CNC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C23H29N3O4/c1-23(2)12-19-17(20(27)13-23)11-18(22(29)25-19)21(28)24-14-15-5-7-16(8-6-15)30-10-9-26(3)4/h5-8,11H,9-10,12-14H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyIXMIGVQPRBSDCV-UHFFFAOYSA-N
XLogP2.40
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495485
N-[2-(4-methoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56738107
N-[(3-fluorophenyl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 51053291
N-(3-methoxypropyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495461
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56567362
N-[(2-bromo-5-fluorophenyl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565456
7,7-dimethyl-2,5-dioxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565251
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 128528204
2-bromo-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 78901621
2,4-dichloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15137000
N,N-diethyl-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495491
6-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]hexanoic acid
CID 119219815

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56565579) is N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is CN(C)CCOc1ccc(CNC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)cc1.
What is the InChIKey of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is IXMIGVQPRBSDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-23(2)12-19-17(20(27)13-23)11-18(22(29)25-19)21(28)24-14-15-5-7-16(8-6-15)30-10-9-26(3)4/h5-8,11H,9-10,12-14H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56565579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).