benzyl N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]carbamate

C20H18N2O5 — CID 110325114

IUPACbenzyl N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]carbamate
SMILESO=C(NCc1cc2cc3c(cc2[nH]c1=O)OCCO3)OCc1ccccc1
InChIInChI=1S/C20H18N2O5/c23-19-15(11-21-20(24)27-12-13-4-2-1-3-5-13)8-14-9-17-18(10-16(14)22-19)26-7-6-25-17/h1-5,8-10H,6-7,11-12H2,(H,21,24)(H,22,23)
InChIKeyHWQJPSQWBOWKFK-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.73
Rot. Bonds4

About benzyl N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]carbamate

benzyl N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]carbamate (PubChem CID 110325114) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is benzyl N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]carbamate
PubChem CID110325114
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Namebenzyl N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]carbamate
SMILESO=C(NCc1cc2cc3c(cc2[nH]c1=O)OCCO3)OCc1ccccc1
InChIInChI=1S/C20H18N2O5/c23-19-15(11-21-20(24)27-12-13-4-2-1-3-5-13)8-14-9-17-18(10-16(14)22-19)26-7-6-25-17/h1-5,8-10H,6-7,11-12H2,(H,21,24)(H,22,23)
InChIKeyHWQJPSQWBOWKFK-UHFFFAOYSA-N
XLogP2.73
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzyl N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]carbamate with MolForge

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Related Compounds

N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-4-phenoxybutanamide
CID 110325095
3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-(3-phenylpropyl)propanamide
CID 110331396
8-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 23857776
N-(3-hydroxypropyl)-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzamide
CID 3194323
3-benzyl-1-[(4-fluorophenyl)methyl]-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea
CID 3195035
2-methyl-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]propanamide
CID 110326153
2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid
CID 82048474
3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one
CID 82712733
2-(4-chlorophenyl)-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]acetamide
CID 110326177
1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-(2-phenylethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 1146582
3-benzyl-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 1375324
1-benzyl-3-(3-methylphenyl)-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]thiourea
CID 1146293

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]carbamate?
The IUPAC name of benzyl N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]carbamate (CID 110325114) is benzyl N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]carbamate?
The canonical SMILES for benzyl N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]carbamate is O=C(NCc1cc2cc3c(cc2[nH]c1=O)OCCO3)OCc1ccccc1.
What is the InChIKey of benzyl N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]carbamate?
The InChIKey is HWQJPSQWBOWKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c23-19-15(11-21-20(24)27-12-13-4-2-1-3-5-13)8-14-9-17-18(10-16(14)22-19)26-7-6-25-17/h1-5,8-10H,6-7,11-12H2,(H,21,24)(H,22,23).
What are the key properties of benzyl N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]carbamate?
benzyl N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]carbamate has a molecular weight of 366.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]carbamate is sourced from PubChem (CID 110325114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).