3-[(6,8-difluoroquinolin-4-yl)amino]-1-(furan-2-yl)butan-1-ol

C17H16F2N2O2 — CID 133494569

IUPAC3-[(6,8-difluoroquinolin-4-yl)amino]-1-(furan-2-yl)butan-1-ol
SMILESCC(CC(O)c1ccco1)Nc1ccnc2c(F)cc(F)cc12
InChIInChI=1S/C17H16F2N2O2/c1-10(7-15(22)16-3-2-6-23-16)21-14-4-5-20-17-12(14)8-11(18)9-13(17)19/h2-6,8-10,15,22H,7H2,1H3,(H,20,21)
InChIKeyYYRWOFWNZFPRBQ-UHFFFAOYSA-N
MW318.32 g/mol
LogP4.03
Rot. Bonds5

About 3-[(6,8-difluoroquinolin-4-yl)amino]-1-(furan-2-yl)butan-1-ol

3-[(6,8-difluoroquinolin-4-yl)amino]-1-(furan-2-yl)butan-1-ol (PubChem CID 133494569) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 3-[(6,8-difluoroquinolin-4-yl)amino]-1-(furan-2-yl)butan-1-ol.

Molecular Properties

Compound Name3-[(6,8-difluoroquinolin-4-yl)amino]-1-(furan-2-yl)butan-1-ol
PubChem CID133494569
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name3-[(6,8-difluoroquinolin-4-yl)amino]-1-(furan-2-yl)butan-1-ol
SMILESCC(CC(O)c1ccco1)Nc1ccnc2c(F)cc(F)cc12
InChIInChI=1S/C17H16F2N2O2/c1-10(7-15(22)16-3-2-6-23-16)21-14-4-5-20-17-12(14)8-11(18)9-13(17)19/h2-6,8-10,15,22H,7H2,1H3,(H,20,21)
InChIKeyYYRWOFWNZFPRBQ-UHFFFAOYSA-N
XLogP4.03
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6,8-difluoroquinolin-4-yl)amino]butan-1-ol
CID 91661517
(1S,3R)-1-(furan-2-yl)-3-[(4-methyl-2-pyridinyl)amino]butan-1-ol
CID 100666938
(1S,3S)-1-(furan-2-yl)-3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol
CID 97250105
6,8-difluoro-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]quinolin-4-amine
CID 133494069
3-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)butan-1-ol
CID 110011129
(1S,3S)-1-(furan-2-yl)butane-1,3-diol
CID 46177371
1-(2-ethoxy-4-fluorophenyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225040
4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide
CID 97328495
(1S,3R)-1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)butan-1-ol
CID 97249673
(1S,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975773
1-(furan-2-yl)pentane-1,3,4-triol
CID 175602784
(1R,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975775

Frequently Asked Questions

What is the IUPAC name of 3-[(6,8-difluoroquinolin-4-yl)amino]-1-(furan-2-yl)butan-1-ol?
The IUPAC name of 3-[(6,8-difluoroquinolin-4-yl)amino]-1-(furan-2-yl)butan-1-ol (CID 133494569) is 3-[(6,8-difluoroquinolin-4-yl)amino]-1-(furan-2-yl)butan-1-ol.
What is the SMILES notation for 3-[(6,8-difluoroquinolin-4-yl)amino]-1-(furan-2-yl)butan-1-ol?
The canonical SMILES for 3-[(6,8-difluoroquinolin-4-yl)amino]-1-(furan-2-yl)butan-1-ol is CC(CC(O)c1ccco1)Nc1ccnc2c(F)cc(F)cc12.
What is the InChIKey of 3-[(6,8-difluoroquinolin-4-yl)amino]-1-(furan-2-yl)butan-1-ol?
The InChIKey is YYRWOFWNZFPRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-10(7-15(22)16-3-2-6-23-16)21-14-4-5-20-17-12(14)8-11(18)9-13(17)19/h2-6,8-10,15,22H,7H2,1H3,(H,20,21).
What are the key properties of 3-[(6,8-difluoroquinolin-4-yl)amino]-1-(furan-2-yl)butan-1-ol?
3-[(6,8-difluoroquinolin-4-yl)amino]-1-(furan-2-yl)butan-1-ol has a molecular weight of 318.32 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,8-difluoroquinolin-4-yl)amino]-1-(furan-2-yl)butan-1-ol is sourced from PubChem (CID 133494569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).