7-[[2-(cyclohexylmethoxy)benzoyl]amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide

C32H34N4O3 — CID 90857782

IUPAC7-[[2-(cyclohexylmethoxy)benzoyl]amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide
SMILESCCC(NC(=O)c1cnc2cc(NC(=O)c3ccccc3OCC3CCCCC3)ccc2c1)c1ccccn1
InChIInChI=1S/C32H34N4O3/c1-2-27(28-13-8-9-17-33-28)36-31(37)24-18-23-15-16-25(19-29(23)34-20-24)35-32(38)26-12-6-7-14-30(26)39-21-22-10-4-3-5-11-22/h6-9,12-20,22,27H,2-5,10-11,21H2,1H3,(H,35,38)(H,36,37)
InChIKeyCSRDIYXOVFOLLG-UHFFFAOYSA-N
MW522.65 g/mol
LogP6.72
Rot. Bonds9

About 7-[[2-(cyclohexylmethoxy)benzoyl]amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide

7-[[2-(cyclohexylmethoxy)benzoyl]amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide (PubChem CID 90857782) has the molecular formula C32H34N4O3 and a molecular weight of 522.65 g/mol. Its IUPAC name is 7-[[2-(cyclohexylmethoxy)benzoyl]amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-[[2-(cyclohexylmethoxy)benzoyl]amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide
PubChem CID90857782
Molecular FormulaC32H34N4O3
Molecular Weight522.65 g/mol
Exact Mass522.26
IUPAC Name7-[[2-(cyclohexylmethoxy)benzoyl]amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide
SMILESCCC(NC(=O)c1cnc2cc(NC(=O)c3ccccc3OCC3CCCCC3)ccc2c1)c1ccccn1
InChIInChI=1S/C32H34N4O3/c1-2-27(28-13-8-9-17-33-28)36-31(37)24-18-23-15-16-25(19-29(23)34-20-24)35-32(38)26-12-6-7-14-30(26)39-21-22-10-4-3-5-11-22/h6-9,12-20,22,27H,2-5,10-11,21H2,1H3,(H,35,38)(H,36,37)
InChIKeyCSRDIYXOVFOLLG-UHFFFAOYSA-N
XLogP6.72
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[[2-(cyclohexylmethoxy)benzoyl]amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide with MolForge

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Related Compounds

ethanesulfonic acid;N-(1-pyridin-2-ylethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
CID 10283066
7-[[3-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]benzoyl]amino]-N-(1-pyridin-2-ylethyl)quinoline-3-carboxamide
CID 90893999
N-propan-2-yl-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
CID 10277298
8-[(4,4-difluorocyclohexyl)methoxy]-N-(1-pyridin-2-ylethyl)quinoline-3-carboxamide
CID 166552626
N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-phenylpyrimidine-5-carboxamide
CID 47090333
N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)benzamide;hydrochloride
CID 119515874
cyclohexylmethyl N-quinolin-7-ylcarbamate
CID 69258697
7-[(3-methoxy-2-pentoxybenzoyl)amino]quinoline-3-carboxylic acid
CID 22736903
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
N-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide
CID 17198857
2-phenyl-N-[(1R)-1-pyridin-2-ylpropyl]benzamide
CID 95191323
N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide
CID 2233800

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(cyclohexylmethoxy)benzoyl]amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide?
The IUPAC name of 7-[[2-(cyclohexylmethoxy)benzoyl]amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide (CID 90857782) is 7-[[2-(cyclohexylmethoxy)benzoyl]amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide.
What is the SMILES notation for 7-[[2-(cyclohexylmethoxy)benzoyl]amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide?
The canonical SMILES for 7-[[2-(cyclohexylmethoxy)benzoyl]amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide is CCC(NC(=O)c1cnc2cc(NC(=O)c3ccccc3OCC3CCCCC3)ccc2c1)c1ccccn1.
What is the InChIKey of 7-[[2-(cyclohexylmethoxy)benzoyl]amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide?
The InChIKey is CSRDIYXOVFOLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O3/c1-2-27(28-13-8-9-17-33-28)36-31(37)24-18-23-15-16-25(19-29(23)34-20-24)35-32(38)26-12-6-7-14-30(26)39-21-22-10-4-3-5-11-22/h6-9,12-20,22,27H,2-5,10-11,21H2,1H3,(H,35,38)(H,36,37).
What are the key properties of 7-[[2-(cyclohexylmethoxy)benzoyl]amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide?
7-[[2-(cyclohexylmethoxy)benzoyl]amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide has a molecular weight of 522.65 g/mol, XLogP of 6.72, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(cyclohexylmethoxy)benzoyl]amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide is sourced from PubChem (CID 90857782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).