N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide

C21H26N4O2 — CID 131935599

IUPACN-[2-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C)c(NC(=O)c2cnc3c(c2)CCCC3)c1
InChIInChI=1S/C21H26N4O2/c1-14-8-9-18(23-20(26)13-25(2)3)19(10-14)24-21(27)16-11-15-6-4-5-7-17(15)22-12-16/h8-12H,4-7,13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyQEHGRGGHGGZOSU-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.02
Rot. Bonds5

About N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide

N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 131935599) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID131935599
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[2-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C)c(NC(=O)c2cnc3c(c2)CCCC3)c1
InChIInChI=1S/C21H26N4O2/c1-14-8-9-18(23-20(26)13-25(2)3)19(10-14)24-21(27)16-11-15-6-4-5-7-17(15)22-12-16/h8-12H,4-7,13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyQEHGRGGHGGZOSU-UHFFFAOYSA-N
XLogP3.02
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

6-(dimethylamino)-N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]pyridine-3-carboxamide
CID 131941529
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9318892
N-[4-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]phenyl]cyclopentanecarboxamide
CID 131940308
dimethyl (E)-2-[2-[[2-(dimethylamino)acetyl]amino]-5-methylanilino]but-2-enedioate
CID 168570113
N-[2-[(2-cyanoacetyl)amino]-4-methylphenyl]benzamide
CID 168521332
5-methyl-N'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-1,3-oxazole-4-carbohydrazide
CID 166283425
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 8637936
N-(3-methylsulfonylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 175733082
N-(2-sulfamoyl-4-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 175733101
2-[benzyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109256795
N-(2-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carboxamide
CID 146080187
3-cyclopentyl-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 175641054

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 131935599) is N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide is Cc1ccc(NC(=O)CN(C)C)c(NC(=O)c2cnc3c(c2)CCCC3)c1.
What is the InChIKey of N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is QEHGRGGHGGZOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-8-9-18(23-20(26)13-25(2)3)19(10-14)24-21(27)16-11-15-6-4-5-7-17(15)22-12-16/h8-12H,4-7,13H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 131935599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).