(2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol

C16H14ClN3O — CID 115960046

IUPAC(2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol
SMILESCc1ccnc(N)c1C(O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H14ClN3O/c1-9-6-8-20-16(18)13(9)15(21)11-4-5-12(17)10-3-2-7-19-14(10)11/h2-8,15,21H,1H3,(H2,18,20)
InChIKeyXYXARDZULRIXEL-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.26
Rot. Bonds2

About (2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol

(2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol (PubChem CID 115960046) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is (2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol.

Molecular Properties

Compound Name(2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol
PubChem CID115960046
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name(2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol
SMILESCc1ccnc(N)c1C(O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H14ClN3O/c1-9-6-8-20-16(18)13(9)15(21)11-4-5-12(17)10-3-2-7-19-14(10)11/h2-8,15,21H,1H3,(H2,18,20)
InChIKeyXYXARDZULRIXEL-UHFFFAOYSA-N
XLogP3.26
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol
CID 105394021
(2-amino-4-methyl-3-pyridinyl)-(2-aminophenyl)methanol
CID 64832179
(5-chloroquinolin-8-yl)-(3-methyltriazol-4-yl)methanol
CID 114685420
1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol
CID 112618208
(2-amino-4-methyl-3-pyridinyl)-(2-methylfuran-3-yl)methanol
CID 104789433
(4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol
CID 114638079
(5-bromo-3-methyltriazol-4-yl)-(5-chloroquinolin-8-yl)methanol
CID 106461386
methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate
CID 112618441
(5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol
CID 106651543
(E)-4-(5-chloroquinolin-8-yl)-3-methylbut-3-en-2-ol
CID 103091147
1-(5-chloroquinolin-8-yl)-2-phenylethanol
CID 112618238
ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate
CID 115960222

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol?
The IUPAC name of (2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol (CID 115960046) is (2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol.
What is the SMILES notation for (2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol?
The canonical SMILES for (2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol is Cc1ccnc(N)c1C(O)c1ccc(Cl)c2cccnc12.
What is the InChIKey of (2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol?
The InChIKey is XYXARDZULRIXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-9-6-8-20-16(18)13(9)15(21)11-4-5-12(17)10-3-2-7-19-14(10)11/h2-8,15,21H,1H3,(H2,18,20).
What are the key properties of (2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol?
(2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol has a molecular weight of 299.76 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol is sourced from PubChem (CID 115960046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).