tert-butyl N-[2-(4-oxo-1H-quinolin-8-yl)prop-2-enyl]carbamate

C17H20N2O3 — CID 155673895

IUPACtert-butyl N-[2-(4-oxo-1H-quinolin-8-yl)prop-2-enyl]carbamate
SMILESC=C(CNC(=O)OC(C)(C)C)c1cccc2c(=O)cc[nH]c12
InChIInChI=1S/C17H20N2O3/c1-11(10-19-16(21)22-17(2,3)4)12-6-5-7-13-14(20)8-9-18-15(12)13/h5-9H,1,10H2,2-4H3,(H,18,20)(H,19,21)
InChIKeyMCKZJWQJQIRGKA-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.07
Rot. Bonds3

About tert-butyl N-[2-(4-oxo-1H-quinolin-8-yl)prop-2-enyl]carbamate

tert-butyl N-[2-(4-oxo-1H-quinolin-8-yl)prop-2-enyl]carbamate (PubChem CID 155673895) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is tert-butyl N-[2-(4-oxo-1H-quinolin-8-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-oxo-1H-quinolin-8-yl)prop-2-enyl]carbamate
PubChem CID155673895
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Nametert-butyl N-[2-(4-oxo-1H-quinolin-8-yl)prop-2-enyl]carbamate
SMILESC=C(CNC(=O)OC(C)(C)C)c1cccc2c(=O)cc[nH]c12
InChIInChI=1S/C17H20N2O3/c1-11(10-19-16(21)22-17(2,3)4)12-6-5-7-13-14(20)8-9-18-15(12)13/h5-9H,1,10H2,2-4H3,(H,18,20)(H,19,21)
InChIKeyMCKZJWQJQIRGKA-UHFFFAOYSA-N
XLogP3.07
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[3-(10-chloroanthracen-9-yl)prop-2-enyl]carbamate
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tert-butyl N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
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3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phthalic acid
CID 67230375
tert-butyl N-[3-(1H-indol-7-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate
CID 170809745

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-oxo-1H-quinolin-8-yl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-oxo-1H-quinolin-8-yl)prop-2-enyl]carbamate (CID 155673895) is tert-butyl N-[2-(4-oxo-1H-quinolin-8-yl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-oxo-1H-quinolin-8-yl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-oxo-1H-quinolin-8-yl)prop-2-enyl]carbamate is C=C(CNC(=O)OC(C)(C)C)c1cccc2c(=O)cc[nH]c12.
What is the InChIKey of tert-butyl N-[2-(4-oxo-1H-quinolin-8-yl)prop-2-enyl]carbamate?
The InChIKey is MCKZJWQJQIRGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11(10-19-16(21)22-17(2,3)4)12-6-5-7-13-14(20)8-9-18-15(12)13/h5-9H,1,10H2,2-4H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[2-(4-oxo-1H-quinolin-8-yl)prop-2-enyl]carbamate?
tert-butyl N-[2-(4-oxo-1H-quinolin-8-yl)prop-2-enyl]carbamate has a molecular weight of 300.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-oxo-1H-quinolin-8-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 155673895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).