7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol

C21H18N4O — CID 703326

IUPAC7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
SMILESCc1ccnc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C21H18N4O/c1-14-8-11-23-18(12-14)25-19(16-5-2-9-22-13-16)17-7-6-15-4-3-10-24-20(15)21(17)26/h2-13,19,26H,1H3,(H,23,25)/t19-/m1/s1
InChIKeyHXTSBGQMUPMIAB-LJQANCHMSA-N
MW342.40 g/mol
LogP4.24
Rot. Bonds4

About 7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol

7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol (PubChem CID 703326) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
PubChem CID703326
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
SMILESCc1ccnc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C21H18N4O/c1-14-8-11-23-18(12-14)25-19(16-5-2-9-22-13-16)17-7-6-15-4-3-10-24-20(15)21(17)26/h2-13,19,26H,1H3,(H,23,25)/t19-/m1/s1
InChIKeyHXTSBGQMUPMIAB-LJQANCHMSA-N
XLogP4.24
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
7-[(R)-(2-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 7500417
7-[[(4-methyl-2-pyridinyl)amino]-(3-prop-2-enoxyphenyl)methyl]quinolin-8-ol
CID 2940653
7-[(R)-[(4-methyl-2-pyridinyl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol
CID 2278455
7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 4130526
7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2906710
7-[(3-ethoxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2907339
7-[(R)-(2-chloro-6-fluorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 1335597
7-[(R)-(3-chloro-4,5-diethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2221476
2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-8-ol;2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol;7-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-8-ol;7-[[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol;7-[pyridin-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol;7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 157167249
7-[(R)-pyridin-3-yl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol
CID 1285693

Frequently Asked Questions

What is the IUPAC name of 7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol (CID 703326) is 7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol is Cc1ccnc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)c1.
What is the InChIKey of 7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol?
The InChIKey is HXTSBGQMUPMIAB-LJQANCHMSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-8-11-23-18(12-14)25-19(16-5-2-9-22-13-16)17-7-6-15-4-3-10-24-20(15)21(17)26/h2-13,19,26H,1H3,(H,23,25)/t19-/m1/s1.
What are the key properties of 7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol?
7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol has a molecular weight of 342.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 703326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).