4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(3-pyridin-2-ylprop-2-ynyl)piperidine-4-carboxamide

C27H29ClN4O3 — CID 22469069

IUPAC4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(3-pyridin-2-ylprop-2-ynyl)piperidine-4-carboxamide
SMILESCOc1ccc2ncc(Cl)c(CCCC3(C(=O)NO)CCN(CC#Cc4ccccn4)CC3)c2c1
InChIInChI=1S/C27H29ClN4O3/c1-35-21-9-10-25-23(18-21)22(24(28)19-30-25)8-4-11-27(26(33)31-34)12-16-32(17-13-27)15-5-7-20-6-2-3-14-29-20/h2-3,6,9-10,14,18-19,34H,4,8,11-13,15-17H2,1H3,(H,31,33)
InChIKeyBMJLBYYYWKVZQE-UHFFFAOYSA-N
MW493.01 g/mol
LogP4.25
Rot. Bonds7

About 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(3-pyridin-2-ylprop-2-ynyl)piperidine-4-carboxamide

4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(3-pyridin-2-ylprop-2-ynyl)piperidine-4-carboxamide (PubChem CID 22469069) has the molecular formula C27H29ClN4O3 and a molecular weight of 493.01 g/mol. Its IUPAC name is 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(3-pyridin-2-ylprop-2-ynyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(3-pyridin-2-ylprop-2-ynyl)piperidine-4-carboxamide
PubChem CID22469069
Molecular FormulaC27H29ClN4O3
Molecular Weight493.01 g/mol
Exact Mass492.19
IUPAC Name4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(3-pyridin-2-ylprop-2-ynyl)piperidine-4-carboxamide
SMILESCOc1ccc2ncc(Cl)c(CCCC3(C(=O)NO)CCN(CC#Cc4ccccn4)CC3)c2c1
InChIInChI=1S/C27H29ClN4O3/c1-35-21-9-10-25-23(18-21)22(24(28)19-30-25)8-4-11-27(26(33)31-34)12-16-32(17-13-27)15-5-7-20-6-2-3-14-29-20/h2-3,6,9-10,14,18-19,34H,4,8,11-13,15-17H2,1H3,(H,31,33)
InChIKeyBMJLBYYYWKVZQE-UHFFFAOYSA-N
XLogP4.25
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.01
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(3R)-3-(3-chloro-6-methoxyquinolin-4-yl)-3-fluoropropyl]-N-hydroxy-1-(3-pyridin-2-ylprop-2-ynyl)piperidine-4-carboxamide
CID 20796593
1-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl]-4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxypiperidine-4-carboxamide
CID 22471199
4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-[3-(2,4,6-trifluorophenyl)propyl]piperidine-4-carboxamide
CID 22468590
4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(4-pyridin-4-ylbutyl)piperidine-4-carboxamide
CID 22470767
4-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-[3-(2,4,6-trifluorophenyl)prop-2-ynyl]piperidine-4-carboxamide
CID 22470665
4-[(3R)-3-(3-chloro-6-methoxyquinolin-4-yl)-3-fluoropropyl]-1-(3-pyridin-2-ylprop-2-ynyl)piperidine-4-carboxylic acid
CID 20796592
4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(2-pyrazin-2-ylsulfanylethyl)piperidine-4-carboxamide
CID 22470784
4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-[3-(2,6-difluorophenyl)sulfanylpropyl]-N-hydroxypiperidine-4-carboxamide
CID 22468784
2-[4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-(3-pyridin-4-ylprop-2-ynyl)piperidin-4-yl]acetic acid
CID 22470328
4-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-fluoropropyl]-N-hydroxy-1-[3-(1,3-thiazol-2-yl)prop-2-ynyl]piperidine-4-carboxamide
CID 22469168
1-[3-(2-chloro-4-fluorophenyl)prop-2-ynyl]-4-[(3R)-3-(3-chloro-6-methoxyquinolin-4-yl)-3-fluoropropyl]-N-hydroxypiperidine-4-carboxamide
CID 20796457
1-[3-(3-chloro-4-fluorophenyl)prop-2-ynyl]-4-[(3R)-3-(3-chloro-6-methoxyquinolin-4-yl)-3-fluoropropyl]-N-hydroxypiperidine-4-carboxamide
CID 20796501

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(3-pyridin-2-ylprop-2-ynyl)piperidine-4-carboxamide?
The IUPAC name of 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(3-pyridin-2-ylprop-2-ynyl)piperidine-4-carboxamide (CID 22469069) is 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(3-pyridin-2-ylprop-2-ynyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(3-pyridin-2-ylprop-2-ynyl)piperidine-4-carboxamide?
The canonical SMILES for 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(3-pyridin-2-ylprop-2-ynyl)piperidine-4-carboxamide is COc1ccc2ncc(Cl)c(CCCC3(C(=O)NO)CCN(CC#Cc4ccccn4)CC3)c2c1.
What is the InChIKey of 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(3-pyridin-2-ylprop-2-ynyl)piperidine-4-carboxamide?
The InChIKey is BMJLBYYYWKVZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O3/c1-35-21-9-10-25-23(18-21)22(24(28)19-30-25)8-4-11-27(26(33)31-34)12-16-32(17-13-27)15-5-7-20-6-2-3-14-29-20/h2-3,6,9-10,14,18-19,34H,4,8,11-13,15-17H2,1H3,(H,31,33).
What are the key properties of 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(3-pyridin-2-ylprop-2-ynyl)piperidine-4-carboxamide?
4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(3-pyridin-2-ylprop-2-ynyl)piperidine-4-carboxamide has a molecular weight of 493.01 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(3-pyridin-2-ylprop-2-ynyl)piperidine-4-carboxamide is sourced from PubChem (CID 22469069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).