1-[(7-chloroquinolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol

C17H17ClN2O2 — CID 133353147

IUPAC1-[(7-chloroquinolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCc1ccc(C(C)(O)CNc2ccnc3cc(Cl)ccc23)o1
InChIInChI=1S/C17H17ClN2O2/c1-11-3-6-16(22-11)17(2,21)10-20-14-7-8-19-15-9-12(18)4-5-13(14)15/h3-9,21H,10H2,1-2H3,(H,19,20)
InChIKeyRYXLQURDLQTGOG-UHFFFAOYSA-N
MW316.79 g/mol
LogP4.11
Rot. Bonds4

About 1-[(7-chloroquinolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol

1-[(7-chloroquinolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol (PubChem CID 133353147) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-[(7-chloroquinolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(7-chloroquinolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
PubChem CID133353147
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name1-[(7-chloroquinolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCc1ccc(C(C)(O)CNc2ccnc3cc(Cl)ccc23)o1
InChIInChI=1S/C17H17ClN2O2/c1-11-3-6-16(22-11)17(2,21)10-20-14-7-8-19-15-9-12(18)4-5-13(14)15/h3-9,21H,10H2,1-2H3,(H,19,20)
InChIKeyRYXLQURDLQTGOG-UHFFFAOYSA-N
XLogP4.11
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(7-chloroquinazolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 133353209
3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol
CID 62060056
3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307879
N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 11644996
2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430042
7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine
CID 104624105
N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859181
7-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine
CID 106374323
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine
CID 11681637
1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride
CID 70204147
7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine
CID 65027745

Frequently Asked Questions

What is the IUPAC name of 1-[(7-chloroquinolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol?
The IUPAC name of 1-[(7-chloroquinolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol (CID 133353147) is 1-[(7-chloroquinolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol.
What is the SMILES notation for 1-[(7-chloroquinolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol?
The canonical SMILES for 1-[(7-chloroquinolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol is Cc1ccc(C(C)(O)CNc2ccnc3cc(Cl)ccc23)o1.
What is the InChIKey of 1-[(7-chloroquinolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol?
The InChIKey is RYXLQURDLQTGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11-3-6-16(22-11)17(2,21)10-20-14-7-8-19-15-9-12(18)4-5-13(14)15/h3-9,21H,10H2,1-2H3,(H,19,20).
What are the key properties of 1-[(7-chloroquinolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol?
1-[(7-chloroquinolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol has a molecular weight of 316.79 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-chloroquinolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol is sourced from PubChem (CID 133353147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).