7-[(R)-(3-ethoxy-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol

C25H25N3O3 — CID 7045638

IUPAC7-[(R)-(3-ethoxy-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
SMILESCCOc1cc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)ccc1OC
InChIInChI=1S/C25H25N3O3/c1-4-31-21-15-18(11-13-20(21)30-3)23(28-22-7-5-6-14-26-22)19-12-10-17-9-8-16(2)27-24(17)25(19)29/h5-15,23,29H,4H2,1-3H3,(H,26,28)/t23-/m1/s1
InChIKeyHZFXBOSCUCIPSU-HSZRJFAPSA-N
MW415.49 g/mol
LogP5.25
Rot. Bonds7

About 7-[(R)-(3-ethoxy-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol

7-[(R)-(3-ethoxy-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol (PubChem CID 7045638) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 7-[(R)-(3-ethoxy-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[(R)-(3-ethoxy-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
PubChem CID7045638
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name7-[(R)-(3-ethoxy-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
SMILESCCOc1cc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)ccc1OC
InChIInChI=1S/C25H25N3O3/c1-4-31-21-15-18(11-13-20(21)30-3)23(28-22-7-5-6-14-26-22)19-12-10-17-9-8-16(2)27-24(17)25(19)29/h5-15,23,29H,4H2,1-3H3,(H,26,28)/t23-/m1/s1
InChIKeyHZFXBOSCUCIPSU-HSZRJFAPSA-N
XLogP5.25
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[(4-ethoxy-3-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 2922621
7-[(3-ethoxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2907339
7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 15993745
7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 2056411
7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2906710
7-[(3-methoxy-4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2966384
7-[(R)-(3-bromo-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 26366116
4-[(8-hydroxy-2-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzaldehyde
CID 154999220
7-[1-(3,4-dimethoxyphenyl)-2-pyridin-2-ylethyl]-2-methylquinolin-8-ol
CID 158357399
7-[(3-ethoxy-4-methoxyphenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol
CID 6009252
2-methyl-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2907464
7-[(3-ethoxy-4-phenylmethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2895088

Frequently Asked Questions

What is the IUPAC name of 7-[(R)-(3-ethoxy-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[(R)-(3-ethoxy-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol (CID 7045638) is 7-[(R)-(3-ethoxy-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[(R)-(3-ethoxy-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[(R)-(3-ethoxy-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol is CCOc1cc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)ccc1OC.
What is the InChIKey of 7-[(R)-(3-ethoxy-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
The InChIKey is HZFXBOSCUCIPSU-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-4-31-21-15-18(11-13-20(21)30-3)23(28-22-7-5-6-14-26-22)19-12-10-17-9-8-16(2)27-24(17)25(19)29/h5-15,23,29H,4H2,1-3H3,(H,26,28)/t23-/m1/s1.
What are the key properties of 7-[(R)-(3-ethoxy-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
7-[(R)-(3-ethoxy-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol has a molecular weight of 415.49 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(R)-(3-ethoxy-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 7045638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).