1-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide

C29H32N4O3 — CID 16598522

IUPAC1-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)CN2CCCc3c(C(=O)NC(C)C)cccc32)c1
InChIInChI=1S/C29H32N4O3/c1-19(2)30-28(35)23-12-7-15-26-22(23)13-8-16-33(26)18-27(34)32-25-14-5-4-11-24(25)29(36)31-21-10-6-9-20(3)17-21/h4-7,9-12,14-15,17,19H,8,13,16,18H2,1-3H3,(H,30,35)(H,31,36)(H,32,34)
InChIKeyQRMALUBZLSMGCR-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.78
Rot. Bonds7

About 1-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide

1-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 16598522) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID16598522
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name1-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)CN2CCCc3c(C(=O)NC(C)C)cccc32)c1
InChIInChI=1S/C29H32N4O3/c1-19(2)30-28(35)23-12-7-15-26-22(23)13-8-16-33(26)18-27(34)32-25-14-5-4-11-24(25)29(36)31-21-10-6-9-20(3)17-21/h4-7,9-12,14-15,17,19H,8,13,16,18H2,1-3H3,(H,30,35)(H,31,36)(H,32,34)
InChIKeyQRMALUBZLSMGCR-UHFFFAOYSA-N
XLogP4.78
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide with MolForge

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Related Compounds

1-[2-(2-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598292
1-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598487
1-[2-(3-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598308
1-[2-(4-chloroanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598332
1-[2-(2-bromo-4-nitroanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16961903
2-[[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8914883
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598424
1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598313
N-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
CID 55380712
1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598383
1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 17454682
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8874197

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of 1-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide (CID 16598522) is 1-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for 1-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for 1-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CCCc3c(C(=O)NC(C)C)cccc32)c1.
What is the InChIKey of 1-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is QRMALUBZLSMGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-19(2)30-28(35)23-12-7-15-26-22(23)13-8-16-33(26)18-27(34)32-25-14-5-4-11-24(25)29(36)31-21-10-6-9-20(3)17-21/h4-7,9-12,14-15,17,19H,8,13,16,18H2,1-3H3,(H,30,35)(H,31,36)(H,32,34).
What are the key properties of 1-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
1-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 4.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 16598522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).