5-chloro-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

C22H18ClN3O — CID 45037803

IUPAC5-chloro-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C22H18ClN3O/c1-14-7-2-3-8-15(14)20(26-19-10-4-5-11-24-19)17-13-18(23)16-9-6-12-25-21(16)22(17)27/h2-13,20,27H,1H3,(H,24,26)
InChIKeyYVABSISGPJUKGO-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.50
Rot. Bonds4

About 5-chloro-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

5-chloro-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 45037803) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is 5-chloro-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID45037803
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name5-chloro-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C22H18ClN3O/c1-14-7-2-3-8-15(14)20(26-19-10-4-5-11-24-19)17-13-18(23)16-9-6-12-25-21(16)22(17)27/h2-13,20,27H,1H3,(H,24,26)
InChIKeyYVABSISGPJUKGO-UHFFFAOYSA-N
XLogP5.50
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.50
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 5-chloro-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 45037803) is 5-chloro-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 5-chloro-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is Cc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of 5-chloro-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is YVABSISGPJUKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c1-14-7-2-3-8-15(14)20(26-19-10-4-5-11-24-19)17-13-18(23)16-9-6-12-25-21(16)22(17)27/h2-13,20,27H,1H3,(H,24,26).
What are the key properties of 5-chloro-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
5-chloro-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 375.86 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 45037803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).