7-[(3-bromophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol

C23H20BrN3O — CID 2944009

IUPAC7-[(3-bromophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
SMILESCc1ccnc(NC(c2cccc(Br)c2)c2ccc3ccc(C)nc3c2O)c1
InChIInChI=1S/C23H20BrN3O/c1-14-10-11-25-20(12-14)27-21(17-4-3-5-18(24)13-17)19-9-8-16-7-6-15(2)26-22(16)23(19)28/h3-13,21,28H,1-2H3,(H,25,27)
InChIKeyPZEUMJUWHZCRJQ-UHFFFAOYSA-N
MW434.34 g/mol
LogP5.92
Rot. Bonds4

About 7-[(3-bromophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol

7-[(3-bromophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol (PubChem CID 2944009) has the molecular formula C23H20BrN3O and a molecular weight of 434.34 g/mol. Its IUPAC name is 7-[(3-bromophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[(3-bromophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
PubChem CID2944009
Molecular FormulaC23H20BrN3O
Molecular Weight434.34 g/mol
Exact Mass433.08
IUPAC Name7-[(3-bromophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
SMILESCc1ccnc(NC(c2cccc(Br)c2)c2ccc3ccc(C)nc3c2O)c1
InChIInChI=1S/C23H20BrN3O/c1-14-10-11-25-20(12-14)27-21(17-4-3-5-18(24)13-17)19-9-8-16-7-6-15(2)26-22(16)23(19)28/h3-13,21,28H,1-2H3,(H,25,27)
InChIKeyPZEUMJUWHZCRJQ-UHFFFAOYSA-N
XLogP5.92
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.34
LogP ≤ 55.92
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

7-[(R)-(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 1020375
7-[(R)-(4-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 1347792
2-methyl-7-[(R)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]quinolin-8-ol
CID 1228768
7-[[4-chloro-3-(fluoromethyl)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 90277387
7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 2056411
7-[(R)-(3-chloro-4,5-dimethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 1303334
7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 703326
7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol
CID 4583594
7-[(R)-[(4-methyl-2-pyridinyl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol
CID 2278455
7-[[(4-methyl-2-pyridinyl)amino]-(3-prop-2-enoxyphenyl)methyl]quinolin-8-ol
CID 2940653
7-[(4-ethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2906981
7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 7012609

Frequently Asked Questions

What is the IUPAC name of 7-[(3-bromophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[(3-bromophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol (CID 2944009) is 7-[(3-bromophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[(3-bromophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[(3-bromophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol is Cc1ccnc(NC(c2cccc(Br)c2)c2ccc3ccc(C)nc3c2O)c1.
What is the InChIKey of 7-[(3-bromophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
The InChIKey is PZEUMJUWHZCRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O/c1-14-10-11-25-20(12-14)27-21(17-4-3-5-18(24)13-17)19-9-8-16-7-6-15(2)26-22(16)23(19)28/h3-13,21,28H,1-2H3,(H,25,27).
What are the key properties of 7-[(3-bromophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
7-[(3-bromophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol has a molecular weight of 434.34 g/mol, XLogP of 5.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-bromophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 2944009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).