[4-[1-hydroxy-3-(3-hydroxy-6-methoxyquinolin-4-yl)propan-2-yl]cyclohexyl]carbamic acid

C20H26N2O5 — CID 154156472

IUPAC[4-[1-hydroxy-3-(3-hydroxy-6-methoxyquinolin-4-yl)propan-2-yl]cyclohexyl]carbamic acid
SMILESCOc1ccc2ncc(O)c(CC(CO)C3CCC(NC(=O)O)CC3)c2c1
InChIInChI=1S/C20H26N2O5/c1-27-15-6-7-18-16(9-15)17(19(24)10-21-18)8-13(11-23)12-2-4-14(5-3-12)22-20(25)26/h6-7,9-10,12-14,22-24H,2-5,8,11H2,1H3,(H,25,26)
InChIKeyNAXHUHQWTSOIAH-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.93
Rot. Bonds6

About [4-[1-hydroxy-3-(3-hydroxy-6-methoxyquinolin-4-yl)propan-2-yl]cyclohexyl]carbamic acid

[4-[1-hydroxy-3-(3-hydroxy-6-methoxyquinolin-4-yl)propan-2-yl]cyclohexyl]carbamic acid (PubChem CID 154156472) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is [4-[1-hydroxy-3-(3-hydroxy-6-methoxyquinolin-4-yl)propan-2-yl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[1-hydroxy-3-(3-hydroxy-6-methoxyquinolin-4-yl)propan-2-yl]cyclohexyl]carbamic acid
PubChem CID154156472
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name[4-[1-hydroxy-3-(3-hydroxy-6-methoxyquinolin-4-yl)propan-2-yl]cyclohexyl]carbamic acid
SMILESCOc1ccc2ncc(O)c(CC(CO)C3CCC(NC(=O)O)CC3)c2c1
InChIInChI=1S/C20H26N2O5/c1-27-15-6-7-18-16(9-15)17(19(24)10-21-18)8-13(11-23)12-2-4-14(5-3-12)22-20(25)26/h6-7,9-10,12-14,22-24H,2-5,8,11H2,1H3,(H,25,26)
InChIKeyNAXHUHQWTSOIAH-UHFFFAOYSA-N
XLogP2.93
TPSA111.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(hydroxymethyl)-6-methoxyquinolin-3-ol
CID 67246471
tert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate
CID 68631993
2-[(3-chloro-6-methoxyquinolin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 138052900
tert-butyl N-[4-[3-(3-chloro-6-methoxyquinolin-4-yl)prop-1-enyl]cyclohexyl]carbamate
CID 71118498
N-cyclopentyl-2-(8-methoxy-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide
CID 20952333
4-amino-6-methoxyquinolin-3-ol
CID 84662489
5-(3-fluoro-6-methoxyquinolin-4-yl)-2-methylpentanoic acid
CID 150936100
[4-[[3-(cyclopropanecarbonyl)-6-(4-hydroxy-3-methoxyphenyl)quinolin-4-yl]amino]cyclohexyl]carbamic acid
CID 66716011
methyl 3-[(1S)-1-hydroxyethyl]-6-methoxyquinoline-4-carboxylate
CID 101455460
2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide
CID 89139592
[4-(3-methoxyphenyl)cyclohexyl]carbamic acid
CID 69226808
ethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate
CID 133397813

Frequently Asked Questions

What is the IUPAC name of [4-[1-hydroxy-3-(3-hydroxy-6-methoxyquinolin-4-yl)propan-2-yl]cyclohexyl]carbamic acid?
The IUPAC name of [4-[1-hydroxy-3-(3-hydroxy-6-methoxyquinolin-4-yl)propan-2-yl]cyclohexyl]carbamic acid (CID 154156472) is [4-[1-hydroxy-3-(3-hydroxy-6-methoxyquinolin-4-yl)propan-2-yl]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[1-hydroxy-3-(3-hydroxy-6-methoxyquinolin-4-yl)propan-2-yl]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[1-hydroxy-3-(3-hydroxy-6-methoxyquinolin-4-yl)propan-2-yl]cyclohexyl]carbamic acid is COc1ccc2ncc(O)c(CC(CO)C3CCC(NC(=O)O)CC3)c2c1.
What is the InChIKey of [4-[1-hydroxy-3-(3-hydroxy-6-methoxyquinolin-4-yl)propan-2-yl]cyclohexyl]carbamic acid?
The InChIKey is NAXHUHQWTSOIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-27-15-6-7-18-16(9-15)17(19(24)10-21-18)8-13(11-23)12-2-4-14(5-3-12)22-20(25)26/h6-7,9-10,12-14,22-24H,2-5,8,11H2,1H3,(H,25,26).
What are the key properties of [4-[1-hydroxy-3-(3-hydroxy-6-methoxyquinolin-4-yl)propan-2-yl]cyclohexyl]carbamic acid?
[4-[1-hydroxy-3-(3-hydroxy-6-methoxyquinolin-4-yl)propan-2-yl]cyclohexyl]carbamic acid has a molecular weight of 374.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-hydroxy-3-(3-hydroxy-6-methoxyquinolin-4-yl)propan-2-yl]cyclohexyl]carbamic acid is sourced from PubChem (CID 154156472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).