5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methyl-7-prop-2-enylquinolin-8-ol

C25H22ClN3O — CID 40714252

IUPAC5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methyl-7-prop-2-enylquinolin-8-ol
SMILESC=CCc1cc([C@H](Nc2ccccn2)c2ccc(Cl)cc2)c2ccc(C)nc2c1O
InChIInChI=1S/C25H22ClN3O/c1-3-6-18-15-21(20-13-8-16(2)28-24(20)25(18)30)23(17-9-11-19(26)12-10-17)29-22-7-4-5-14-27-22/h3-5,7-15,23,30H,1,6H2,2H3,(H,27,29)/t23-/m1/s1
InChIKeyQICPNRBBAUUSCA-HSZRJFAPSA-N
MW415.92 g/mol
LogP6.23
Rot. Bonds6

About 5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methyl-7-prop-2-enylquinolin-8-ol

5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methyl-7-prop-2-enylquinolin-8-ol (PubChem CID 40714252) has the molecular formula C25H22ClN3O and a molecular weight of 415.92 g/mol. Its IUPAC name is 5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methyl-7-prop-2-enylquinolin-8-ol.

Molecular Properties

Compound Name5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methyl-7-prop-2-enylquinolin-8-ol
PubChem CID40714252
Molecular FormulaC25H22ClN3O
Molecular Weight415.92 g/mol
Exact Mass415.15
IUPAC Name5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methyl-7-prop-2-enylquinolin-8-ol
SMILESC=CCc1cc([C@H](Nc2ccccn2)c2ccc(Cl)cc2)c2ccc(C)nc2c1O
InChIInChI=1S/C25H22ClN3O/c1-3-6-18-15-21(20-13-8-16(2)28-24(20)25(18)30)23(17-9-11-19(26)12-10-17)29-22-7-4-5-14-27-22/h3-5,7-15,23,30H,1,6H2,2H3,(H,27,29)/t23-/m1/s1
InChIKeyQICPNRBBAUUSCA-HSZRJFAPSA-N
XLogP6.23
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.92
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895250
7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 2056411
4-[(8-hydroxy-2-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzaldehyde
CID 154999220
5-chloro-7-[(4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2966049
7-[(4-ethoxy-3-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 2922621
7-[(R)-(3-ethoxy-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 7045638
ethyl 4-[(5-chloro-8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate
CID 174319482
3-[(3-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 67069753
5-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 147199836
2-methyl-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2907464
7-[[4-chloro-3-(fluoromethyl)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 90277387
7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 67987463

Frequently Asked Questions

What is the IUPAC name of 5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methyl-7-prop-2-enylquinolin-8-ol?
The IUPAC name of 5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methyl-7-prop-2-enylquinolin-8-ol (CID 40714252) is 5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methyl-7-prop-2-enylquinolin-8-ol.
What is the SMILES notation for 5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methyl-7-prop-2-enylquinolin-8-ol?
The canonical SMILES for 5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methyl-7-prop-2-enylquinolin-8-ol is C=CCc1cc([C@H](Nc2ccccn2)c2ccc(Cl)cc2)c2ccc(C)nc2c1O.
What is the InChIKey of 5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methyl-7-prop-2-enylquinolin-8-ol?
The InChIKey is QICPNRBBAUUSCA-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H22ClN3O/c1-3-6-18-15-21(20-13-8-16(2)28-24(20)25(18)30)23(17-9-11-19(26)12-10-17)29-22-7-4-5-14-27-22/h3-5,7-15,23,30H,1,6H2,2H3,(H,27,29)/t23-/m1/s1.
What are the key properties of 5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methyl-7-prop-2-enylquinolin-8-ol?
5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methyl-7-prop-2-enylquinolin-8-ol has a molecular weight of 415.92 g/mol, XLogP of 6.23, 6 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]-2-methyl-7-prop-2-enylquinolin-8-ol is sourced from PubChem (CID 40714252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).