5-chloro-7-[(S)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol

C19H14ClN3O2 — CID 1301420

IUPAC5-chloro-7-[(S)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c([C@H](Nc2ccccn2)c2ccco2)cc(Cl)c2cccnc12
InChIInChI=1S/C19H14ClN3O2/c20-14-11-13(19(24)18-12(14)5-3-9-22-18)17(15-6-4-10-25-15)23-16-7-1-2-8-21-16/h1-11,17,24H,(H,21,23)/t17-/m0/s1
InChIKeySZEZEZHDZJZXEC-KRWDZBQOSA-N
MW351.79 g/mol
LogP4.78
Rot. Bonds4

About 5-chloro-7-[(S)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol

5-chloro-7-[(S)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 1301420) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is 5-chloro-7-[(S)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-[(S)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID1301420
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC Name5-chloro-7-[(S)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c([C@H](Nc2ccccn2)c2ccco2)cc(Cl)c2cccnc12
InChIInChI=1S/C19H14ClN3O2/c20-14-11-13(19(24)18-12(14)5-3-9-22-18)17(15-6-4-10-25-15)23-16-7-1-2-8-21-16/h1-11,17,24H,(H,21,23)/t17-/m0/s1
InChIKeySZEZEZHDZJZXEC-KRWDZBQOSA-N
XLogP4.78
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.78
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

5-chloro-7-[(2-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2961169
5-chloro-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 45037803
5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2221516
5-chloro-7-[(4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2966049
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenoxyacetamide
CID 4609641
5-chloro-7-[(4-hydroxy-3-iodo-5-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2966011
7-[(S)-(3-bromo-4-hydroxy-5-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-chloroquinolin-8-ol
CID 2221429
7-[(3-bromo-4-hydroxy-5-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-chloroquinolin-8-ol
CID 2966018
ethyl 4-[(5-chloro-8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate
CID 174319482
5-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 147199836
2-[7-[(2,3-dichlorophenyl)-(pyridin-2-ylamino)methyl]-8-hydroxyquinolin-5-yl]acetic acid
CID 174321396
7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol
CID 4073581

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[(S)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 5-chloro-7-[(S)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 1301420) is 5-chloro-7-[(S)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-[(S)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 5-chloro-7-[(S)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol is Oc1c([C@H](Nc2ccccn2)c2ccco2)cc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-7-[(S)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is SZEZEZHDZJZXEC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c20-14-11-13(19(24)18-12(14)5-3-9-22-18)17(15-6-4-10-25-15)23-16-7-1-2-8-21-16/h1-11,17,24H,(H,21,23)/t17-/m0/s1.
What are the key properties of 5-chloro-7-[(S)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol?
5-chloro-7-[(S)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 351.79 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[(S)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 1301420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).