4-hydroxy-6,7-dimethoxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-3-carboxamide;hydrochloride

C20H28ClN3O5 — CID 54683149

IUPAC4-hydroxy-6,7-dimethoxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-3-carboxamide;hydrochloride
SMILESCOc1cc2[nH]c(=O)c(C(=O)NCCCN3CCCCC3)c(O)c2cc1OC.Cl
InChIInChI=1S/C20H27N3O5.ClH/c1-27-15-11-13-14(12-16(15)28-2)22-20(26)17(18(13)24)19(25)21-7-6-10-23-8-4-3-5-9-23;/h11-12H,3-10H2,1-2H3,(H,21,25)(H2,22,24,26);1H
InChIKeyXKOWIJCMQWQRQY-UHFFFAOYSA-N
MW425.91 g/mol
LogP2.28
Rot. Bonds7

About 4-hydroxy-6,7-dimethoxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-3-carboxamide;hydrochloride

4-hydroxy-6,7-dimethoxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-3-carboxamide;hydrochloride (PubChem CID 54683149) has the molecular formula C20H28ClN3O5 and a molecular weight of 425.91 g/mol. Its IUPAC name is 4-hydroxy-6,7-dimethoxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-6,7-dimethoxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-3-carboxamide;hydrochloride
PubChem CID54683149
Molecular FormulaC20H28ClN3O5
Molecular Weight425.91 g/mol
Exact Mass425.17
IUPAC Name4-hydroxy-6,7-dimethoxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-3-carboxamide;hydrochloride
SMILESCOc1cc2[nH]c(=O)c(C(=O)NCCCN3CCCCC3)c(O)c2cc1OC.Cl
InChIInChI=1S/C20H27N3O5.ClH/c1-27-15-11-13-14(12-16(15)28-2)22-20(26)17(18(13)24)19(25)21-7-6-10-23-8-4-3-5-9-23;/h11-12H,3-10H2,1-2H3,(H,21,25)(H2,22,24,26);1H
InChIKeyXKOWIJCMQWQRQY-UHFFFAOYSA-N
XLogP2.28
TPSA103.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.91
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-hydroxy-6,7-dimethoxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-3-carboxamide;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

1-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid 3,4-dimethoxy-benzylamide
CID 54683760
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-oxo-1-propyl-1,4-dihydroquinoline-3-carboxamide
CID 54706880
3-Cyclohexyl-1-cyclopentyl-1-(6,7-dimethoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-urea
CID 655813
3-Butyl-1-(3-hydroxy-propyl)-1-(7-oxo-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-g]quinolin-8-ylmethyl)-thiourea
CID 3176152
4-hydroxy-6,7-dimethoxy-N-(3-morpholinopropyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide hydrochloride
CID 54677162
1-Allyl-4-hydroxy-6,7-dimethoxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
CID 54679692
4-Hydroxy-6,7-dimethoxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid 2-methoxy-benzylamide
CID 54682411
N-(4-fluorobenzyl)-4-hydroxy-6,7-dimethoxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54683799
N-(3,4-dimethoxybenzyl)-7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide
CID 54686434
N-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
CID 86279207
N-[(1-benzylpiperidin-4-yl)methyl]-4,6,7-trihydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 86279208
1-benzyl-N-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxoquinoline-3-carboxamide
CID 90654551

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6,7-dimethoxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-3-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-6,7-dimethoxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-3-carboxamide;hydrochloride (CID 54683149) is 4-hydroxy-6,7-dimethoxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-6,7-dimethoxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-3-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-6,7-dimethoxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-3-carboxamide;hydrochloride is COc1cc2[nH]c(=O)c(C(=O)NCCCN3CCCCC3)c(O)c2cc1OC.Cl.
What is the InChIKey of 4-hydroxy-6,7-dimethoxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-3-carboxamide;hydrochloride?
The InChIKey is XKOWIJCMQWQRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5.ClH/c1-27-15-11-13-14(12-16(15)28-2)22-20(26)17(18(13)24)19(25)21-7-6-10-23-8-4-3-5-9-23;/h11-12H,3-10H2,1-2H3,(H,21,25)(H2,22,24,26);1H.
What are the key properties of 4-hydroxy-6,7-dimethoxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-3-carboxamide;hydrochloride?
4-hydroxy-6,7-dimethoxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-3-carboxamide;hydrochloride has a molecular weight of 425.91 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6,7-dimethoxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 54683149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).