tert-butyl N-[5-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-2-pyridinyl]carbamate

C23H26FN3O3 — CID 118655099

IUPACtert-butyl N-[5-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-2-pyridinyl]carbamate
SMILESCCC(CF)Oc1ccc2ccc(-c3ccc(NC(=O)OC(C)(C)C)nc3)nc2c1
InChIInChI=1S/C23H26FN3O3/c1-5-17(13-24)29-18-9-6-15-7-10-19(26-20(15)12-18)16-8-11-21(25-14-16)27-22(28)30-23(2,3)4/h6-12,14,17H,5,13H2,1-4H3,(H,25,27,28)
InChIKeyBOUNRDWFURYDPG-UHFFFAOYSA-N
MW411.48 g/mol
LogP5.77
Rot. Bonds6

About tert-butyl N-[5-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-2-pyridinyl]carbamate

tert-butyl N-[5-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-2-pyridinyl]carbamate (PubChem CID 118655099) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is tert-butyl N-[5-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-2-pyridinyl]carbamate
PubChem CID118655099
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Nametert-butyl N-[5-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-2-pyridinyl]carbamate
SMILESCCC(CF)Oc1ccc2ccc(-c3ccc(NC(=O)OC(C)(C)C)nc3)nc2c1
InChIInChI=1S/C23H26FN3O3/c1-5-17(13-24)29-18-9-6-15-7-10-19(26-20(15)12-18)16-8-11-21(25-14-16)27-22(28)30-23(2,3)4/h6-12,14,17H,5,13H2,1-4H3,(H,25,27,28)
InChIKeyBOUNRDWFURYDPG-UHFFFAOYSA-N
XLogP5.77
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.48
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[5-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-2-pyridinyl]carbamate with MolForge

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Related Compounds

tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate
CID 70798094
tert-butyl N-[5-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]-2-pyridinyl]carbamate
CID 71526371
tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate
CID 171682426
tert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate
CID 86671106
tert-butyl N-[4-[7-(1,3-dibutoxypropan-2-yloxy)quinolin-2-yl]phenyl]-N-methylcarbamate
CID 118657084
methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate
CID 107243083
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
pentan-3-yl N-(7-tert-butylquinolin-2-yl)carbamate
CID 155623307
tert-butyl N-[7-(4-methyl-6-propanoyl-3-pyridinyl)isoquinolin-3-yl]carbamate
CID 171555762
tert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate
CID 107243064
[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium
CID 42553117
tert-butyl N-[5-(1-chloroethyl)-2-pyridinyl]carbamate
CID 178071288

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-2-pyridinyl]carbamate (CID 118655099) is tert-butyl N-[5-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-2-pyridinyl]carbamate is CCC(CF)Oc1ccc2ccc(-c3ccc(NC(=O)OC(C)(C)C)nc3)nc2c1.
What is the InChIKey of tert-butyl N-[5-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-2-pyridinyl]carbamate?
The InChIKey is BOUNRDWFURYDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-5-17(13-24)29-18-9-6-15-7-10-19(26-20(15)12-18)16-8-11-21(25-14-16)27-22(28)30-23(2,3)4/h6-12,14,17H,5,13H2,1-4H3,(H,25,27,28).
What are the key properties of tert-butyl N-[5-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-2-pyridinyl]carbamate?
tert-butyl N-[5-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-2-pyridinyl]carbamate has a molecular weight of 411.48 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 118655099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).