8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide

C18H16N2O4 — CID 18372541

IUPAC8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc3cccnc3c2O)ccc1O
InChIInChI=1S/C18H16N2O4/c1-24-15-9-11(4-7-14(15)21)10-20-18(23)13-6-5-12-3-2-8-19-16(12)17(13)22/h2-9,21-22H,10H2,1H3,(H,20,23)
InChIKeyMUCDXRBWHYGPDT-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.58
Rot. Bonds4

About 8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide

8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide (PubChem CID 18372541) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide
PubChem CID18372541
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc3cccnc3c2O)ccc1O
InChIInChI=1S/C18H16N2O4/c1-24-15-9-11(4-7-14(15)21)10-20-18(23)13-6-5-12-3-2-8-19-16(12)17(13)22/h2-9,21-22H,10H2,1H3,(H,20,23)
InChIKeyMUCDXRBWHYGPDT-UHFFFAOYSA-N
XLogP2.58
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

8-hydroxy-N-(pyridin-2-ylmethyl)quinoline-7-carboxamide
CID 53302604
N-[(4-hydroxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 60508930
N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2,3-dihydroxybenzamide
CID 146301946
N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide
CID 17401154
(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;8-hydroxyquinoline-7-carboxylic acid
CID 159537945
N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 60508987
8-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 18372533
N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide
CID 18372521
N-[(2,4-dichlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;methane
CID 159727206
N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 10063540
N-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane
CID 159643443
2-[4-[[(8-methoxyquinoline-6-carbonyl)amino]methyl]phenyl]acetic acid
CID 167880372

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide?
The IUPAC name of 8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide (CID 18372541) is 8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide.
What is the SMILES notation for 8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide?
The canonical SMILES for 8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide is COc1cc(CNC(=O)c2ccc3cccnc3c2O)ccc1O.
What is the InChIKey of 8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide?
The InChIKey is MUCDXRBWHYGPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-24-15-9-11(4-7-14(15)21)10-20-18(23)13-6-5-12-3-2-8-19-16(12)17(13)22/h2-9,21-22H,10H2,1H3,(H,20,23).
What are the key properties of 8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide?
8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide is sourced from PubChem (CID 18372541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).