7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol

C18H14N4O2 — CID 703337

IUPAC7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c([C@H](Nc2ncccn2)c2ccco2)ccc2cccnc12
InChIInChI=1S/C18H14N4O2/c23-17-13(7-6-12-4-1-8-19-15(12)17)16(14-5-2-11-24-14)22-18-20-9-3-10-21-18/h1-11,16,23H,(H,20,21,22)/t16-/m0/s1
InChIKeyQSDHABQFUBXYAT-INIZCTEOSA-N
MW318.34 g/mol
LogP3.52
Rot. Bonds4

About 7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol

7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 703337) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol
PubChem CID703337
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c([C@H](Nc2ncccn2)c2ccco2)ccc2cccnc12
InChIInChI=1S/C18H14N4O2/c23-17-13(7-6-12-4-1-8-19-15(12)17)16(14-5-2-11-24-14)22-18-20-9-3-10-21-18/h1-11,16,23H,(H,20,21,22)/t16-/m0/s1
InChIKeyQSDHABQFUBXYAT-INIZCTEOSA-N
XLogP3.52
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.52
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-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 19233328
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-ethoxyethyl 3-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate
CID 19233094
2-chloro-3-[(8-hydroxyquinolin-7-yl)-(pyrimidin-2-ylamino)methyl]benzonitrile
CID 175998762
(8-hydroxyquinolin-7-yl)methanediol
CID 145367917
7-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol
CID 19232894
5-chloro-7-[(S)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 1301420
7-[furan-2-yl-(2,4,5-trichloroanilino)methyl]-2-methylquinolin-8-ol
CID 19233031

Frequently Asked Questions

What is the IUPAC name of 7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol (CID 703337) is 7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol is Oc1c([C@H](Nc2ncccn2)c2ccco2)ccc2cccnc12.
What is the InChIKey of 7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is QSDHABQFUBXYAT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-17-13(7-6-12-4-1-8-19-15(12)17)16(14-5-2-11-24-14)22-18-20-9-3-10-21-18/h1-11,16,23H,(H,20,21,22)/t16-/m0/s1.
What are the key properties of 7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol?
7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 318.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 703337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).