methyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate

C15H20N2O3 — CID 7517544

IUPACmethyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2
InChIInChI=1S/C15H20N2O3/c1-10(2)14(18)17-8-4-5-11-6-7-12(9-13(11)17)16-15(19)20-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,19)
InChIKeyQUAVSGOWYMDDCD-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.80
Rot. Bonds2

About methyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate

methyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate (PubChem CID 7517544) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate
PubChem CID7517544
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2
InChIInChI=1S/C15H20N2O3/c1-10(2)14(18)17-8-4-5-11-6-7-12(9-13(11)17)16-15(19)20-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,19)
InChIKeyQUAVSGOWYMDDCD-UHFFFAOYSA-N
XLogP2.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide
CID 7688050
N-(2,2-dimethoxyethyl)-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 7688029
N-cyclopropyl-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 7688051
2,3-dimethoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517455
2-(2-methoxyphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 7517535
3,4-difluoro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517474
dimethyl-[2-[[2-[[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-2-oxoacetyl]amino]ethyl]azanium
CID 7688017
phenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate
CID 7656784
2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7656750
1-[(4-chlorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]urea
CID 30372089
1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30373580
N-[(2-chlorophenyl)methyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 7688053

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate?
The IUPAC name of methyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate (CID 7517544) is methyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate.
What is the SMILES notation for methyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate?
The canonical SMILES for methyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate is COC(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2.
What is the InChIKey of methyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate?
The InChIKey is QUAVSGOWYMDDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)14(18)17-8-4-5-11-6-7-12(9-13(11)17)16-15(19)20-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,19).
What are the key properties of methyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate?
methyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate has a molecular weight of 276.34 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate is sourced from PubChem (CID 7517544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).