7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

C20H17N3O2 — CID 19233328

IUPAC7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCc1cccc(NC(c2ccco2)c2ccc3cccnc3c2O)n1
InChIInChI=1S/C20H17N3O2/c1-13-5-2-8-17(22-13)23-19(16-7-4-12-25-16)15-10-9-14-6-3-11-21-18(14)20(15)24/h2-12,19,24H,1H3,(H,22,23)
InChIKeyUMCBMHAVSLEJKI-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.44
Rot. Bonds4

About 7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (PubChem CID 19233328) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
PubChem CID19233328
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCc1cccc(NC(c2ccco2)c2ccc3cccnc3c2O)n1
InChIInChI=1S/C20H17N3O2/c1-13-5-2-8-17(22-13)23-19(16-7-4-12-25-16)15-10-9-14-6-3-11-21-18(14)20(15)24/h2-12,19,24H,1H3,(H,22,23)
InChIKeyUMCBMHAVSLEJKI-UHFFFAOYSA-N
XLogP4.44
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.44
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-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol
CID 703337
7-[(2-hydroxy-5-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 23879787
7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol
CID 4073581
4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzenesulfonamide
CID 19233159
N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide
CID 767453
propan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate
CID 19233038
7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol
CID 19233262
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-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol
CID 19232894
7-[(S)-(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 2054369
7-[furan-2-yl-(2,4,5-trichloroanilino)methyl]-2-methylquinolin-8-ol
CID 19233031
2-ethoxyethyl 3-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate
CID 19233094

Frequently Asked Questions

What is the IUPAC name of 7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The IUPAC name of 7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (CID 19233328) is 7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The canonical SMILES for 7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is Cc1cccc(NC(c2ccco2)c2ccc3cccnc3c2O)n1.
What is the InChIKey of 7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The InChIKey is UMCBMHAVSLEJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-13-5-2-8-17(22-13)23-19(16-7-4-12-25-16)15-10-9-14-6-3-11-21-18(14)20(15)24/h2-12,19,24H,1H3,(H,22,23).
What are the key properties of 7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol has a molecular weight of 331.38 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 19233328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).