3-quinolin-3-ylprop-2-ynyl N,N-di(propan-2-yl)carbamate

C19H22N2O2 — CID 66669552

IUPAC3-quinolin-3-ylprop-2-ynyl N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OCC#Cc1cnc2ccccc2c1)C(C)C
InChIInChI=1S/C19H22N2O2/c1-14(2)21(15(3)4)19(22)23-11-7-8-16-12-17-9-5-6-10-18(17)20-13-16/h5-6,9-10,12-15H,11H2,1-4H3
InChIKeyVQACIFUBOSPBJD-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.84
Rot. Bonds3

About 3-quinolin-3-ylprop-2-ynyl N,N-di(propan-2-yl)carbamate

3-quinolin-3-ylprop-2-ynyl N,N-di(propan-2-yl)carbamate (PubChem CID 66669552) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-quinolin-3-ylprop-2-ynyl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name3-quinolin-3-ylprop-2-ynyl N,N-di(propan-2-yl)carbamate
PubChem CID66669552
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-quinolin-3-ylprop-2-ynyl N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OCC#Cc1cnc2ccccc2c1)C(C)C
InChIInChI=1S/C19H22N2O2/c1-14(2)21(15(3)4)19(22)23-11-7-8-16-12-17-9-5-6-10-18(17)20-13-16/h5-6,9-10,12-15H,11H2,1-4H3
InChIKeyVQACIFUBOSPBJD-UHFFFAOYSA-N
XLogP3.84
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-quinolin-3-ylprop-2-ynyl N,N-dicyclohexylcarbamate
CID 11200137
3-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]quinoline
CID 20737597
methyl 4-quinolin-3-ylbut-3-ynoate
CID 170469663
ethanol;3-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]quinoline
CID 158903966
N-methyl-3-quinolin-3-ylprop-2-yn-1-amine
CID 114497793
dimethyl 2-[2-(2-quinolin-3-ylethynyl)phenyl]cyclopropane-1,1-dicarboxylate
CID 135028571
4-methylbenzene-1,2-dithiolate;platinum(2+);3-(6-quinolin-3-ylhexa-1,5-diynyl)quinoline
CID 142014507
2-quinolin-3-ylbutanamide
CID 154121490
quinolin-3-ylmethyl acetate
CID 101032812
2-methyl-3-quinolin-3-ylpropan-1-amine
CID 64664749
ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
CID 34177500
(3R)-3-quinolin-3-yloxybutanoic acid
CID 107386787

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-3-ylprop-2-ynyl N,N-di(propan-2-yl)carbamate?
The IUPAC name of 3-quinolin-3-ylprop-2-ynyl N,N-di(propan-2-yl)carbamate (CID 66669552) is 3-quinolin-3-ylprop-2-ynyl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for 3-quinolin-3-ylprop-2-ynyl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for 3-quinolin-3-ylprop-2-ynyl N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)OCC#Cc1cnc2ccccc2c1)C(C)C.
What is the InChIKey of 3-quinolin-3-ylprop-2-ynyl N,N-di(propan-2-yl)carbamate?
The InChIKey is VQACIFUBOSPBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14(2)21(15(3)4)19(22)23-11-7-8-16-12-17-9-5-6-10-18(17)20-13-16/h5-6,9-10,12-15H,11H2,1-4H3.
What are the key properties of 3-quinolin-3-ylprop-2-ynyl N,N-di(propan-2-yl)carbamate?
3-quinolin-3-ylprop-2-ynyl N,N-di(propan-2-yl)carbamate has a molecular weight of 310.40 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-3-ylprop-2-ynyl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 66669552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).