4-[[2-[4-[(2R)-2-methoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetyl]amino]-N-[1-(5-methylcyclohexa-1,3-dien-1-yl)-7-phenylheptan-4-yl]cyclohexane-1-carboxamide

C46H63N5O4 — CID 142137858

IUPAC4-[[2-[4-[(2R)-2-methoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetyl]amino]-N-[1-(5-methylcyclohexa-1,3-dien-1-yl)-7-phenylheptan-4-yl]cyclohexane-1-carboxamide
SMILESCO[C@@H](COc1cccc2ncccc12)CN1CCN(CC(=O)NC2CCC(C(=O)NC(CCCC3=CC=CC(C)C3)CCCc3ccccc3)CC2)CC1
InChIInChI=1S/C46H63N5O4/c1-35-11-6-15-37(31-35)16-8-18-39(17-7-14-36-12-4-3-5-13-36)49-46(53)38-22-24-40(25-23-38)48-45(52)33-51-29-27-50(28-30-51)32-41(54-2)34-55-44-21-9-20-43-42(44)19-10-26-47-43/h3-6,9-13,15,19-21,26,35,38-41H,7-8,14,16-18,22-25,27-34H2,1-2H3,(H,48,52)(H,49,53)/t35?,38?,39?,40?,41-/m1/s1
InChIKeyUFONRQCQYHEBCG-VTPRDSRSSA-N
MW750.04 g/mol
LogP7.12
Rot. Bonds19

About 4-[[2-[4-[(2R)-2-methoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetyl]amino]-N-[1-(5-methylcyclohexa-1,3-dien-1-yl)-7-phenylheptan-4-yl]cyclohexane-1-carboxamide

4-[[2-[4-[(2R)-2-methoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetyl]amino]-N-[1-(5-methylcyclohexa-1,3-dien-1-yl)-7-phenylheptan-4-yl]cyclohexane-1-carboxamide (PubChem CID 142137858) has the molecular formula C46H63N5O4 and a molecular weight of 750.04 g/mol. Its IUPAC name is 4-[[2-[4-[(2R)-2-methoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetyl]amino]-N-[1-(5-methylcyclohexa-1,3-dien-1-yl)-7-phenylheptan-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[2-[4-[(2R)-2-methoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetyl]amino]-N-[1-(5-methylcyclohexa-1,3-dien-1-yl)-7-phenylheptan-4-yl]cyclohexane-1-carboxamide
PubChem CID142137858
Molecular FormulaC46H63N5O4
Molecular Weight750.04 g/mol
Exact Mass749.49
IUPAC Name4-[[2-[4-[(2R)-2-methoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetyl]amino]-N-[1-(5-methylcyclohexa-1,3-dien-1-yl)-7-phenylheptan-4-yl]cyclohexane-1-carboxamide
SMILESCO[C@@H](COc1cccc2ncccc12)CN1CCN(CC(=O)NC2CCC(C(=O)NC(CCCC3=CC=CC(C)C3)CCCc3ccccc3)CC2)CC1
InChIInChI=1S/C46H63N5O4/c1-35-11-6-15-37(31-35)16-8-18-39(17-7-14-36-12-4-3-5-13-36)49-46(53)38-22-24-40(25-23-38)48-45(52)33-51-29-27-50(28-30-51)32-41(54-2)34-55-44-21-9-20-43-42(44)19-10-26-47-43/h3-6,9-13,15,19-21,26,35,38-41H,7-8,14,16-18,22-25,27-34H2,1-2H3,(H,48,52)(H,49,53)/t35?,38?,39?,40?,41-/m1/s1
InChIKeyUFONRQCQYHEBCG-VTPRDSRSSA-N
XLogP7.12
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.04
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[2-[4-[(2R)-2-methoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetyl]amino]-N-[1-(5-methylcyclohexa-1,3-dien-1-yl)-7-phenylheptan-4-yl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,7-diphenylheptan-4-yl)-2-[4-[(2R)-2-ethoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetamide
CID 142137863
N-(1,7-diphenylheptan-4-yl)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide
CID 12020252
N-(1,7-diphenylheptan-4-yl)-3-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-3-oxopropanamide
CID 20622404
N-(1,7-diphenylheptan-4-yl)-1-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-2-carbonyl]piperidine-4-carboxamide
CID 23531927
N-(1,7-diphenylheptan-4-yl)-2-[1-(3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide
CID 142138134
N-(1,7-diphenylheptan-4-yl)-4-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]-1-(6-phenylhexanoyl)piperazine-2-carboxamide
CID 59912221
N-(1,7-diphenylheptan-4-yl)-4-[(2S)-2-hydroxy-3-quinolin-5-yloxypropyl]-1-(3-pyridin-3-ylpropanoyl)piperazine-2-carboxamide
CID 10212289
N-(1,7-diphenylheptan-4-yl)-2-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide;N-(1,7-diphenylheptan-4-yl)-2-piperidin-4-ylacetamide;methane;5-(oxiran-2-ylmethoxy)quinoline
CID 159398368
1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carboxylic acid
CID 18727458
2-[cyano-[2-[2-[ethyl-(2-hydroxy-3-quinolin-5-yloxypropyl)amino]ethyl-methylamino]acetyl]amino]-N-(1,7-diphenylheptan-4-yl)acetamide
CID 142137817
tert-butyl 4-(1,7-diphenylheptan-4-ylcarbamoyl)piperidine-1-carboxylate;1,7-diphenylheptan-4-amine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 161413603
N-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]methyl]-5-phenyl-2-(3-phenylpropyl)pentanamide;methane;5-[2-[(2S)-oxiran-2-yl]ethyl]quinoline;5-phenyl-2-(3-phenylpropyl)-N-(piperidin-4-ylmethyl)pentanamide
CID 161273194

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-[(2R)-2-methoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetyl]amino]-N-[1-(5-methylcyclohexa-1,3-dien-1-yl)-7-phenylheptan-4-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[2-[4-[(2R)-2-methoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetyl]amino]-N-[1-(5-methylcyclohexa-1,3-dien-1-yl)-7-phenylheptan-4-yl]cyclohexane-1-carboxamide (CID 142137858) is 4-[[2-[4-[(2R)-2-methoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetyl]amino]-N-[1-(5-methylcyclohexa-1,3-dien-1-yl)-7-phenylheptan-4-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[2-[4-[(2R)-2-methoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetyl]amino]-N-[1-(5-methylcyclohexa-1,3-dien-1-yl)-7-phenylheptan-4-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[2-[4-[(2R)-2-methoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetyl]amino]-N-[1-(5-methylcyclohexa-1,3-dien-1-yl)-7-phenylheptan-4-yl]cyclohexane-1-carboxamide is CO[C@@H](COc1cccc2ncccc12)CN1CCN(CC(=O)NC2CCC(C(=O)NC(CCCC3=CC=CC(C)C3)CCCc3ccccc3)CC2)CC1.
What is the InChIKey of 4-[[2-[4-[(2R)-2-methoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetyl]amino]-N-[1-(5-methylcyclohexa-1,3-dien-1-yl)-7-phenylheptan-4-yl]cyclohexane-1-carboxamide?
The InChIKey is UFONRQCQYHEBCG-VTPRDSRSSA-N. The full InChI is InChI=1S/C46H63N5O4/c1-35-11-6-15-37(31-35)16-8-18-39(17-7-14-36-12-4-3-5-13-36)49-46(53)38-22-24-40(25-23-38)48-45(52)33-51-29-27-50(28-30-51)32-41(54-2)34-55-44-21-9-20-43-42(44)19-10-26-47-43/h3-6,9-13,15,19-21,26,35,38-41H,7-8,14,16-18,22-25,27-34H2,1-2H3,(H,48,52)(H,49,53)/t35?,38?,39?,40?,41-/m1/s1.
What are the key properties of 4-[[2-[4-[(2R)-2-methoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetyl]amino]-N-[1-(5-methylcyclohexa-1,3-dien-1-yl)-7-phenylheptan-4-yl]cyclohexane-1-carboxamide?
4-[[2-[4-[(2R)-2-methoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetyl]amino]-N-[1-(5-methylcyclohexa-1,3-dien-1-yl)-7-phenylheptan-4-yl]cyclohexane-1-carboxamide has a molecular weight of 750.04 g/mol, XLogP of 7.12, 19 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-[(2R)-2-methoxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]acetyl]amino]-N-[1-(5-methylcyclohexa-1,3-dien-1-yl)-7-phenylheptan-4-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 142137858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).