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

C21H16ClN3O — CID 40714258

IUPAC5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol
SMILESOc1ccc2ncccc2c1[C@H](Nc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClN3O/c22-15-8-6-14(7-9-15)21(25-19-5-1-2-12-24-19)20-16-4-3-13-23-17(16)10-11-18(20)26/h1-13,21,26H,(H,24,25)/t21-/m1/s1
InChIKeyLPRHGBLPNRTUEF-OAQYLSRUSA-N
MW361.83 g/mol
LogP5.19
Rot. Bonds4

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

5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol (PubChem CID 40714258) has the molecular formula C21H16ClN3O and a molecular weight of 361.83 g/mol. Its IUPAC name is 5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol.

Molecular Properties

Compound Name5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol
PubChem CID40714258
Molecular FormulaC21H16ClN3O
Molecular Weight361.83 g/mol
Exact Mass361.10
IUPAC Name5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol
SMILESOc1ccc2ncccc2c1[C@H](Nc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClN3O/c22-15-8-6-14(7-9-15)21(25-19-5-1-2-12-24-19)20-16-4-3-13-23-17(16)10-11-18(20)26/h1-13,21,26H,(H,24,25)/t21-/m1/s1
InChIKeyLPRHGBLPNRTUEF-OAQYLSRUSA-N
XLogP5.19
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.83
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(R)-(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol
CID 7379855
5-[(S)-(4-fluorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-6-ol
CID 7379487
7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895250
1-[(3-nitrophenyl)-(pyridin-2-ylamino)methyl]naphthalen-2-ol
CID 164687729
1-[(4-bromophenyl)-(pyrazin-2-ylamino)methyl]naphthalen-2-ol
CID 25133983
5-chloro-7-[(2-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2961169
1-[(4-bromophenyl)-(pyrimidin-2-ylamino)methyl]naphthalen-2-ol
CID 25128840
N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 767503
5-chloro-7-[(4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2966049
5-chloro-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 45037803
5-chloro-7-[(S)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 1301420
5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methyl-7-prop-2-enylquinolin-8-ol
CID 40714252

Frequently Asked Questions

What is the IUPAC name of 5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol?
The IUPAC name of 5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol (CID 40714258) is 5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol.
What is the SMILES notation for 5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol?
The canonical SMILES for 5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol is Oc1ccc2ncccc2c1[C@H](Nc1ccccn1)c1ccc(Cl)cc1.
What is the InChIKey of 5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol?
The InChIKey is LPRHGBLPNRTUEF-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H16ClN3O/c22-15-8-6-14(7-9-15)21(25-19-5-1-2-12-24-19)20-16-4-3-13-23-17(16)10-11-18(20)26/h1-13,21,26H,(H,24,25)/t21-/m1/s1.
What are the key properties of 5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol?
5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol has a molecular weight of 361.83 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol is sourced from PubChem (CID 40714258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).