propan-2-yl N-(quinolin-5-ylmethyl)carbamate

C14H16N2O2 — CID 135387719

IUPACpropan-2-yl N-(quinolin-5-ylmethyl)carbamate
SMILESCC(C)OC(=O)NCc1cccc2ncccc12
InChIInChI=1S/C14H16N2O2/c1-10(2)18-14(17)16-9-11-5-3-7-13-12(11)6-4-8-15-13/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyPJASAXGOXBNWMA-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.87
Rot. Bonds3

About propan-2-yl N-(quinolin-5-ylmethyl)carbamate

propan-2-yl N-(quinolin-5-ylmethyl)carbamate (PubChem CID 135387719) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is propan-2-yl N-(quinolin-5-ylmethyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(quinolin-5-ylmethyl)carbamate
PubChem CID135387719
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namepropan-2-yl N-(quinolin-5-ylmethyl)carbamate
SMILESCC(C)OC(=O)NCc1cccc2ncccc12
InChIInChI=1S/C14H16N2O2/c1-10(2)18-14(17)16-9-11-5-3-7-13-12(11)6-4-8-15-13/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyPJASAXGOXBNWMA-UHFFFAOYSA-N
XLogP2.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-methyl-N-(quinolin-5-ylmethyl)carbamate
CID 135388422
propan-2-yloxy-(quinolin-5-ylmethylamino)methanol
CID 167171231
propan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
CID 142144649
N-(quinolin-5-ylmethyl)butan-2-amine
CID 62340535
ethane;N-methyl-1-quinolin-5-ylmethanamine
CID 163296401
1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide
CID 177323281
ethane;propan-2-yl N-[[2-[2-(cyclopropylmethylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
CID 142144655
tert-butyl N-[2-(quinolin-4-ylmethylamino)propyl]carbamate
CID 107248566
ethane;5-ethylquinoline
CID 143401043
1-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-5-ylurea
CID 71237021
5,5-dimethyl-2-(quinolin-5-ylmethylamino)hexanoic acid
CID 175558824
2-methoxy-N-(quinolin-5-ylmethyl)ethanamine
CID 62543986

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(quinolin-5-ylmethyl)carbamate?
The IUPAC name of propan-2-yl N-(quinolin-5-ylmethyl)carbamate (CID 135387719) is propan-2-yl N-(quinolin-5-ylmethyl)carbamate.
What is the SMILES notation for propan-2-yl N-(quinolin-5-ylmethyl)carbamate?
The canonical SMILES for propan-2-yl N-(quinolin-5-ylmethyl)carbamate is CC(C)OC(=O)NCc1cccc2ncccc12.
What is the InChIKey of propan-2-yl N-(quinolin-5-ylmethyl)carbamate?
The InChIKey is PJASAXGOXBNWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(2)18-14(17)16-9-11-5-3-7-13-12(11)6-4-8-15-13/h3-8,10H,9H2,1-2H3,(H,16,17).
What are the key properties of propan-2-yl N-(quinolin-5-ylmethyl)carbamate?
propan-2-yl N-(quinolin-5-ylmethyl)carbamate has a molecular weight of 244.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(quinolin-5-ylmethyl)carbamate is sourced from PubChem (CID 135387719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).