7-[(R)-pyridin-3-yl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol

C18H14N4OS — CID 1285693

IUPAC7-[(R)-pyridin-3-yl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c([C@H](Nc2nccs2)c2cccnc2)ccc2cccnc12
InChIInChI=1S/C18H14N4OS/c23-17-14(6-5-12-3-2-8-20-16(12)17)15(13-4-1-7-19-11-13)22-18-21-9-10-24-18/h1-11,15,23H,(H,21,22)/t15-/m1/s1
InChIKeyGRQALDDEXYEUFH-OAHLLOKOSA-N
MW334.40 g/mol
LogP3.99
Rot. Bonds4

About 7-[(R)-pyridin-3-yl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol

7-[(R)-pyridin-3-yl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol (PubChem CID 1285693) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 7-[(R)-pyridin-3-yl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(R)-pyridin-3-yl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol
PubChem CID1285693
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name7-[(R)-pyridin-3-yl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c([C@H](Nc2nccs2)c2cccnc2)ccc2cccnc12
InChIInChI=1S/C18H14N4OS/c23-17-14(6-5-12-3-2-8-20-16(12)17)15(13-4-1-7-19-11-13)22-18-21-9-10-24-18/h1-11,15,23H,(H,21,22)/t15-/m1/s1
InChIKeyGRQALDDEXYEUFH-OAHLLOKOSA-N
XLogP3.99
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.99
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-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 4130526
7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 703326
7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 56729926
7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 19233207
7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 19232932
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-[(S)-pyridin-3-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol
CID 675468
2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 19232813
7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol
CID 19233022
7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol
CID 19232846
7-[(1,3-benzothiazol-2-ylamino)-(2-hydroxyphenyl)methyl]quinolin-8-ol;7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[(3-phenylmethoxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol
CID 159889586
7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol
CID 703337

Frequently Asked Questions

What is the IUPAC name of 7-[(R)-pyridin-3-yl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(R)-pyridin-3-yl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol (CID 1285693) is 7-[(R)-pyridin-3-yl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(R)-pyridin-3-yl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(R)-pyridin-3-yl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol is Oc1c([C@H](Nc2nccs2)c2cccnc2)ccc2cccnc12.
What is the InChIKey of 7-[(R)-pyridin-3-yl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is GRQALDDEXYEUFH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H14N4OS/c23-17-14(6-5-12-3-2-8-20-16(12)17)15(13-4-1-7-19-11-13)22-18-21-9-10-24-18/h1-11,15,23H,(H,21,22)/t15-/m1/s1.
What are the key properties of 7-[(R)-pyridin-3-yl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol?
7-[(R)-pyridin-3-yl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 334.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(R)-pyridin-3-yl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 1285693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).