4-[(2-cyclohexyl-2-oxoethyl)amino]-N,N-di(quinolin-3-yl)benzamide

C33H30N4O2 — CID 69247541

IUPAC4-[(2-cyclohexyl-2-oxoethyl)amino]-N,N-di(quinolin-3-yl)benzamide
SMILESO=C(CNc1ccc(C(=O)N(c2cnc3ccccc3c2)c2cnc3ccccc3c2)cc1)C1CCCCC1
InChIInChI=1S/C33H30N4O2/c38-32(23-8-2-1-3-9-23)22-34-27-16-14-24(15-17-27)33(39)37(28-18-25-10-4-6-12-30(25)35-20-28)29-19-26-11-5-7-13-31(26)36-21-29/h4-7,10-21,23,34H,1-3,8-9,22H2
InChIKeyZRECDGHZPOKLMN-UHFFFAOYSA-N
MW514.63 g/mol
LogP7.32
Rot. Bonds7

About 4-[(2-cyclohexyl-2-oxoethyl)amino]-N,N-di(quinolin-3-yl)benzamide

4-[(2-cyclohexyl-2-oxoethyl)amino]-N,N-di(quinolin-3-yl)benzamide (PubChem CID 69247541) has the molecular formula C33H30N4O2 and a molecular weight of 514.63 g/mol. Its IUPAC name is 4-[(2-cyclohexyl-2-oxoethyl)amino]-N,N-di(quinolin-3-yl)benzamide.

Molecular Properties

Compound Name4-[(2-cyclohexyl-2-oxoethyl)amino]-N,N-di(quinolin-3-yl)benzamide
PubChem CID69247541
Molecular FormulaC33H30N4O2
Molecular Weight514.63 g/mol
Exact Mass514.24
IUPAC Name4-[(2-cyclohexyl-2-oxoethyl)amino]-N,N-di(quinolin-3-yl)benzamide
SMILESO=C(CNc1ccc(C(=O)N(c2cnc3ccccc3c2)c2cnc3ccccc3c2)cc1)C1CCCCC1
InChIInChI=1S/C33H30N4O2/c38-32(23-8-2-1-3-9-23)22-34-27-16-14-24(15-17-27)33(39)37(28-18-25-10-4-6-12-30(25)35-20-28)29-19-26-11-5-7-13-31(26)36-21-29/h4-7,10-21,23,34H,1-3,8-9,22H2
InChIKeyZRECDGHZPOKLMN-UHFFFAOYSA-N
XLogP7.32
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl(quinolin-3-yl)methanone
CID 54861205
2-anilino-1-cyclobutylethanone
CID 116555468
3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide
CID 10451096
4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 66816166
3-[4-(cyclohexylmethylamino)phenyl]-N-quinolin-3-ylprop-2-enamide
CID 66815738
1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea
CID 175700632
cyclopentyl quinoline-3-carboxylate
CID 91372569
4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110745532
N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide
CID 171577203
3-piperidin-1-yl-1-quinolin-3-ylprop-2-en-1-one
CID 68717094
3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one
CID 114963138
N-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-3-carboxamide
CID 6724022

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexyl-2-oxoethyl)amino]-N,N-di(quinolin-3-yl)benzamide?
The IUPAC name of 4-[(2-cyclohexyl-2-oxoethyl)amino]-N,N-di(quinolin-3-yl)benzamide (CID 69247541) is 4-[(2-cyclohexyl-2-oxoethyl)amino]-N,N-di(quinolin-3-yl)benzamide.
What is the SMILES notation for 4-[(2-cyclohexyl-2-oxoethyl)amino]-N,N-di(quinolin-3-yl)benzamide?
The canonical SMILES for 4-[(2-cyclohexyl-2-oxoethyl)amino]-N,N-di(quinolin-3-yl)benzamide is O=C(CNc1ccc(C(=O)N(c2cnc3ccccc3c2)c2cnc3ccccc3c2)cc1)C1CCCCC1.
What is the InChIKey of 4-[(2-cyclohexyl-2-oxoethyl)amino]-N,N-di(quinolin-3-yl)benzamide?
The InChIKey is ZRECDGHZPOKLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N4O2/c38-32(23-8-2-1-3-9-23)22-34-27-16-14-24(15-17-27)33(39)37(28-18-25-10-4-6-12-30(25)35-20-28)29-19-26-11-5-7-13-31(26)36-21-29/h4-7,10-21,23,34H,1-3,8-9,22H2.
What are the key properties of 4-[(2-cyclohexyl-2-oxoethyl)amino]-N,N-di(quinolin-3-yl)benzamide?
4-[(2-cyclohexyl-2-oxoethyl)amino]-N,N-di(quinolin-3-yl)benzamide has a molecular weight of 514.63 g/mol, XLogP of 7.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexyl-2-oxoethyl)amino]-N,N-di(quinolin-3-yl)benzamide is sourced from PubChem (CID 69247541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).