7-[(3-methoxy-4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

C25H23N3O3 — CID 2966384

IUPAC7-[(3-methoxy-4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESC=CCOc1ccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)cc1OC
InChIInChI=1S/C25H23N3O3/c1-3-15-31-20-12-10-18(16-21(20)30-2)23(28-22-8-4-5-13-26-22)19-11-9-17-7-6-14-27-24(17)25(19)29/h3-14,16,23,29H,1,15H2,2H3,(H,26,28)
InChIKeyBGAFVCMOLWPKDA-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.11
Rot. Bonds8

About 7-[(3-methoxy-4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

7-[(3-methoxy-4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 2966384) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 7-[(3-methoxy-4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(3-methoxy-4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID2966384
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name7-[(3-methoxy-4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESC=CCOc1ccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)cc1OC
InChIInChI=1S/C25H23N3O3/c1-3-15-31-20-12-10-18(16-21(20)30-2)23(28-22-8-4-5-13-26-22)19-11-9-17-7-6-14-27-24(17)25(19)29/h3-14,16,23,29H,1,15H2,2H3,(H,26,28)
InChIKeyBGAFVCMOLWPKDA-UHFFFAOYSA-N
XLogP5.11
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[(R)-(3-bromo-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 26366116
7-[(4-ethoxy-3-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 2922621
7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2906710
7-[(R)-(3-ethoxy-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 7045638
7-[(3-ethoxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2907339
7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 1222215
7-[[(4-methyl-2-pyridinyl)amino]-(3-prop-2-enoxyphenyl)methyl]quinolin-8-ol
CID 2940653
7-[(4-ethoxy-3-methoxyphenyl)-[(5-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol
CID 44555339
7-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895950
7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895250
N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872334
7-[(4-hydroxy-3,5-dimethoxyphenyl)-[(5-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 162668822

Frequently Asked Questions

What is the IUPAC name of 7-[(3-methoxy-4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(3-methoxy-4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 2966384) is 7-[(3-methoxy-4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(3-methoxy-4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(3-methoxy-4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is C=CCOc1ccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)cc1OC.
What is the InChIKey of 7-[(3-methoxy-4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is BGAFVCMOLWPKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-3-15-31-20-12-10-18(16-21(20)30-2)23(28-22-8-4-5-13-26-22)19-11-9-17-7-6-14-27-24(17)25(19)29/h3-14,16,23,29H,1,15H2,2H3,(H,26,28).
What are the key properties of 7-[(3-methoxy-4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
7-[(3-methoxy-4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 413.48 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methoxy-4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 2966384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).