benzyl N-[(2S)-1-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methylamino]-1-oxopropan-2-yl]carbamate

C24H25N3O5 — CID 22867054

IUPACbenzyl N-[(2S)-1-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methylamino]-1-oxopropan-2-yl]carbamate
SMILESCc1cc2c(c3ccc(=O)[nH]c13)OC(CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C2
InChIInChI=1S/C24H25N3O5/c1-14-10-17-11-18(32-22(17)19-8-9-20(28)27-21(14)19)12-25-23(29)15(2)26-24(30)31-13-16-6-4-3-5-7-16/h3-10,15,18H,11-13H2,1-2H3,(H,25,29)(H,26,30)(H,27,28)/t15-,18?/m0/s1
InChIKeyJZZJEAYDGYQZTL-BUSXIPJBSA-N
MW435.48 g/mol
LogP2.57
Rot. Bonds6

About benzyl N-[(2S)-1-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methylamino]-1-oxopropan-2-yl]carbamate

benzyl N-[(2S)-1-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methylamino]-1-oxopropan-2-yl]carbamate (PubChem CID 22867054) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methylamino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methylamino]-1-oxopropan-2-yl]carbamate
PubChem CID22867054
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Namebenzyl N-[(2S)-1-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methylamino]-1-oxopropan-2-yl]carbamate
SMILESCc1cc2c(c3ccc(=O)[nH]c13)OC(CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C2
InChIInChI=1S/C24H25N3O5/c1-14-10-17-11-18(32-22(17)19-8-9-20(28)27-21(14)19)12-25-23(29)15(2)26-24(30)31-13-16-6-4-3-5-7-16/h3-10,15,18H,11-13H2,1-2H3,(H,25,29)(H,26,30)(H,27,28)/t15-,18?/m0/s1
InChIKeyJZZJEAYDGYQZTL-BUSXIPJBSA-N
XLogP2.57
TPSA109.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methylamino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methylamino]-1-oxopropan-2-yl]carbamate (CID 22867054) is benzyl N-[(2S)-1-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methylamino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methylamino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methylamino]-1-oxopropan-2-yl]carbamate is Cc1cc2c(c3ccc(=O)[nH]c13)OC(CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C2.
What is the InChIKey of benzyl N-[(2S)-1-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methylamino]-1-oxopropan-2-yl]carbamate?
The InChIKey is JZZJEAYDGYQZTL-BUSXIPJBSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-14-10-17-11-18(32-22(17)19-8-9-20(28)27-21(14)19)12-25-23(29)15(2)26-24(30)31-13-16-6-4-3-5-7-16/h3-10,15,18H,11-13H2,1-2H3,(H,25,29)(H,26,30)(H,27,28)/t15-,18?/m0/s1.
What are the key properties of benzyl N-[(2S)-1-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methylamino]-1-oxopropan-2-yl]carbamate?
benzyl N-[(2S)-1-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methylamino]-1-oxopropan-2-yl]carbamate has a molecular weight of 435.48 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methylamino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 22867054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).