5-[(R)-(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol

C22H19N3O2 — CID 7379855

IUPAC5-[(R)-(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol
SMILESCOc1ccc([C@@H](Nc2ccccn2)c2c(O)ccc3ncccc23)cc1
InChIInChI=1S/C22H19N3O2/c1-27-16-9-7-15(8-10-16)22(25-20-6-2-3-13-24-20)21-17-5-4-14-23-18(17)11-12-19(21)26/h2-14,22,26H,1H3,(H,24,25)/t22-/m1/s1
InChIKeyRGZLLMZYKBBZCE-JOCHJYFZSA-N
MW357.41 g/mol
LogP4.55
Rot. Bonds5

About 5-[(R)-(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol

5-[(R)-(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol (PubChem CID 7379855) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[(R)-(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol.

Molecular Properties

Compound Name5-[(R)-(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol
PubChem CID7379855
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name5-[(R)-(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol
SMILESCOc1ccc([C@@H](Nc2ccccn2)c2c(O)ccc3ncccc23)cc1
InChIInChI=1S/C22H19N3O2/c1-27-16-9-7-15(8-10-16)22(25-20-6-2-3-13-24-20)21-17-5-4-14-23-18(17)11-12-19(21)26/h2-14,22,26H,1H3,(H,24,25)/t22-/m1/s1
InChIKeyRGZLLMZYKBBZCE-JOCHJYFZSA-N
XLogP4.55
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol
CID 40714258
5-[(S)-(4-fluorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-6-ol
CID 7379487
N-[3-[(S)-(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 2061123
6-methoxy-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 146475138
N-[3-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
CID 46740709
1-(4-methoxyphenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 105095031
1-[(3-nitrophenyl)-(pyridin-2-ylamino)methyl]naphthalen-2-ol
CID 164687729
1-[(4-bromophenyl)-(pyrazin-2-ylamino)methyl]naphthalen-2-ol
CID 25133983
N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 877378
(4-methoxyphenyl)-quinolin-4-ylmethanol
CID 63893984
1-[(4-bromophenyl)-(pyrimidin-2-ylamino)methyl]naphthalen-2-ol
CID 25128840
N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide
CID 102482362

Frequently Asked Questions

What is the IUPAC name of 5-[(R)-(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol?
The IUPAC name of 5-[(R)-(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol (CID 7379855) is 5-[(R)-(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol.
What is the SMILES notation for 5-[(R)-(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol?
The canonical SMILES for 5-[(R)-(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol is COc1ccc([C@@H](Nc2ccccn2)c2c(O)ccc3ncccc23)cc1.
What is the InChIKey of 5-[(R)-(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol?
The InChIKey is RGZLLMZYKBBZCE-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-27-16-9-7-15(8-10-16)22(25-20-6-2-3-13-24-20)21-17-5-4-14-23-18(17)11-12-19(21)26/h2-14,22,26H,1H3,(H,24,25)/t22-/m1/s1.
What are the key properties of 5-[(R)-(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol?
5-[(R)-(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol has a molecular weight of 357.41 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(R)-(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol is sourced from PubChem (CID 7379855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).