tert-butyl N-[1-[[9-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-1,2-dihydrofuro[3,2-f]quinolin-4-yl]oxymethyl]cyclopropyl]carbamate

C29H30FN3O5 — CID 146271170

IUPACtert-butyl N-[1-[[9-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-1,2-dihydrofuro[3,2-f]quinolin-4-yl]oxymethyl]cyclopropyl]carbamate
SMILESCc1cc2c(F)c(Oc3ccnc4cc(OCC5(NC(=O)OC(C)(C)C)CC5)c5c(c34)CCO5)ccc2[nH]1
InChIInChI=1S/C29H30FN3O5/c1-16-13-18-19(32-16)5-6-22(25(18)30)37-21-7-11-31-20-14-23(26-17(24(20)21)8-12-35-26)36-15-29(9-10-29)33-27(34)38-28(2,3)4/h5-7,11,13-14,32H,8-10,12,15H2,1-4H3,(H,33,34)
InChIKeyQPIHZYVWDJKHGU-UHFFFAOYSA-N
MW519.57 g/mol
LogP6.33
Rot. Bonds6

About tert-butyl N-[1-[[9-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-1,2-dihydrofuro[3,2-f]quinolin-4-yl]oxymethyl]cyclopropyl]carbamate

tert-butyl N-[1-[[9-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-1,2-dihydrofuro[3,2-f]quinolin-4-yl]oxymethyl]cyclopropyl]carbamate (PubChem CID 146271170) has the molecular formula C29H30FN3O5 and a molecular weight of 519.57 g/mol. Its IUPAC name is tert-butyl N-[1-[[9-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-1,2-dihydrofuro[3,2-f]quinolin-4-yl]oxymethyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[9-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-1,2-dihydrofuro[3,2-f]quinolin-4-yl]oxymethyl]cyclopropyl]carbamate
PubChem CID146271170
Molecular FormulaC29H30FN3O5
Molecular Weight519.57 g/mol
Exact Mass519.22
IUPAC Nametert-butyl N-[1-[[9-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-1,2-dihydrofuro[3,2-f]quinolin-4-yl]oxymethyl]cyclopropyl]carbamate
SMILESCc1cc2c(F)c(Oc3ccnc4cc(OCC5(NC(=O)OC(C)(C)C)CC5)c5c(c34)CCO5)ccc2[nH]1
InChIInChI=1S/C29H30FN3O5/c1-16-13-18-19(32-16)5-6-22(25(18)30)37-21-7-11-31-20-14-23(26-17(24(20)21)8-12-35-26)36-15-29(9-10-29)33-27(34)38-28(2,3)4/h5-7,11,13-14,32H,8-10,12,15H2,1-4H3,(H,33,34)
InChIKeyQPIHZYVWDJKHGU-UHFFFAOYSA-N
XLogP6.33
TPSA94.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.57
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[[9-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-1,2-dihydrofuro[3,2-f]quinolin-4-yl]oxymethyl]cyclopropyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[9-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-1,2-dihydrofuro[3,2-f]quinolin-4-yl]oxymethyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[[9-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-1,2-dihydrofuro[3,2-f]quinolin-4-yl]oxymethyl]cyclopropyl]carbamate (CID 146271170) is tert-butyl N-[1-[[9-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-1,2-dihydrofuro[3,2-f]quinolin-4-yl]oxymethyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[9-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-1,2-dihydrofuro[3,2-f]quinolin-4-yl]oxymethyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[9-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-1,2-dihydrofuro[3,2-f]quinolin-4-yl]oxymethyl]cyclopropyl]carbamate is Cc1cc2c(F)c(Oc3ccnc4cc(OCC5(NC(=O)OC(C)(C)C)CC5)c5c(c34)CCO5)ccc2[nH]1.
What is the InChIKey of tert-butyl N-[1-[[9-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-1,2-dihydrofuro[3,2-f]quinolin-4-yl]oxymethyl]cyclopropyl]carbamate?
The InChIKey is QPIHZYVWDJKHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O5/c1-16-13-18-19(32-16)5-6-22(25(18)30)37-21-7-11-31-20-14-23(26-17(24(20)21)8-12-35-26)36-15-29(9-10-29)33-27(34)38-28(2,3)4/h5-7,11,13-14,32H,8-10,12,15H2,1-4H3,(H,33,34).
What are the key properties of tert-butyl N-[1-[[9-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-1,2-dihydrofuro[3,2-f]quinolin-4-yl]oxymethyl]cyclopropyl]carbamate?
tert-butyl N-[1-[[9-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-1,2-dihydrofuro[3,2-f]quinolin-4-yl]oxymethyl]cyclopropyl]carbamate has a molecular weight of 519.57 g/mol, XLogP of 6.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[9-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-1,2-dihydrofuro[3,2-f]quinolin-4-yl]oxymethyl]cyclopropyl]carbamate is sourced from PubChem (CID 146271170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).