phenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate

C20H22N2O3 — CID 7656784

IUPACphenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate
SMILESCC(C)C(=O)N1CCCc2cc(NC(=O)Oc3ccccc3)ccc21
InChIInChI=1S/C20H22N2O3/c1-14(2)19(23)22-12-6-7-15-13-16(10-11-18(15)22)21-20(24)25-17-8-4-3-5-9-17/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,21,24)
InChIKeyDIAPDERCMWHLGM-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.23
Rot. Bonds3

About phenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate

phenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate (PubChem CID 7656784) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is phenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate
PubChem CID7656784
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namephenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate
SMILESCC(C)C(=O)N1CCCc2cc(NC(=O)Oc3ccccc3)ccc21
InChIInChI=1S/C20H22N2O3/c1-14(2)19(23)22-12-6-7-15-13-16(10-11-18(15)22)21-20(24)25-17-8-4-3-5-9-17/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,21,24)
InChIKeyDIAPDERCMWHLGM-UHFFFAOYSA-N
XLogP4.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7656757
1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30373580
1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea
CID 110358442
2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7656750
2-(3-methoxyphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7498766
2-(3-methylphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7498760
methyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 7517544
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclopentanecarboxamide
CID 7656708
N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide
CID 110358439
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclohexanecarboxamide
CID 18584143
methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 16834631
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-2-sulfonamide
CID 7498928

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate?
The IUPAC name of phenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate (CID 7656784) is phenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate.
What is the SMILES notation for phenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate?
The canonical SMILES for phenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate is CC(C)C(=O)N1CCCc2cc(NC(=O)Oc3ccccc3)ccc21.
What is the InChIKey of phenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate?
The InChIKey is DIAPDERCMWHLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(2)19(23)22-12-6-7-15-13-16(10-11-18(15)22)21-20(24)25-17-8-4-3-5-9-17/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,21,24).
What are the key properties of phenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate?
phenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate has a molecular weight of 338.41 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate is sourced from PubChem (CID 7656784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).