8-hydroxy-N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]quinoline-7-carboxamide;methane

C20H22N2O4 — CID 158606160

IUPAC8-hydroxy-N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]quinoline-7-carboxamide;methane
SMILESC.O=C(NC(CO)Cc1ccc(O)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C19H18N2O4.CH4/c22-11-14(10-12-3-6-15(23)7-4-12)21-19(25)16-8-5-13-2-1-9-20-17(13)18(16)24;/h1-9,14,22-24H,10-11H2,(H,21,25);1H4
InChIKeyHWGDOYUXTYHHCB-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.62
Rot. Bonds5

About 8-hydroxy-N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]quinoline-7-carboxamide;methane

8-hydroxy-N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]quinoline-7-carboxamide;methane (PubChem CID 158606160) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 8-hydroxy-N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]quinoline-7-carboxamide;methane.

Molecular Properties

Compound Name8-hydroxy-N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]quinoline-7-carboxamide;methane
PubChem CID158606160
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name8-hydroxy-N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]quinoline-7-carboxamide;methane
SMILESC.O=C(NC(CO)Cc1ccc(O)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C19H18N2O4.CH4/c22-11-14(10-12-3-6-15(23)7-4-12)21-19(25)16-8-5-13-2-1-9-20-17(13)18(16)24;/h1-9,14,22-24H,10-11H2,(H,21,25);1H4
InChIKeyHWGDOYUXTYHHCB-UHFFFAOYSA-N
XLogP2.62
TPSA102.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673829
N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide
CID 18372521
N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-3-hydroxypyridine-2-carboxamide
CID 122145854
N-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane
CID 159643443
2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 104696636
N-(2-bromophenyl)-8-hydroxyquinoline-7-carboxamide;methane
CID 161317877
8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane
CID 157185579
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
8-hydroxy-N-(pyridin-2-ylmethyl)quinoline-7-carboxamide
CID 53302604
4-chloro-2,5-difluoro-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide
CID 122147380
N-(3,3-diphenylpropyl)-8-hydroxyquinoline-7-carboxamide
CID 18372579
3-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-4-carboxamide
CID 81442857

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]quinoline-7-carboxamide;methane?
The IUPAC name of 8-hydroxy-N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]quinoline-7-carboxamide;methane (CID 158606160) is 8-hydroxy-N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]quinoline-7-carboxamide;methane.
What is the SMILES notation for 8-hydroxy-N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]quinoline-7-carboxamide;methane?
The canonical SMILES for 8-hydroxy-N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]quinoline-7-carboxamide;methane is C.O=C(NC(CO)Cc1ccc(O)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of 8-hydroxy-N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]quinoline-7-carboxamide;methane?
The InChIKey is HWGDOYUXTYHHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4.CH4/c22-11-14(10-12-3-6-15(23)7-4-12)21-19(25)16-8-5-13-2-1-9-20-17(13)18(16)24;/h1-9,14,22-24H,10-11H2,(H,21,25);1H4.
What are the key properties of 8-hydroxy-N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]quinoline-7-carboxamide;methane?
8-hydroxy-N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]quinoline-7-carboxamide;methane has a molecular weight of 354.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]quinoline-7-carboxamide;methane is sourced from PubChem (CID 158606160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).