tert-butyl N-(5-formylquinolin-8-yl)carbamate

C15H16N2O3 — CID 155816847

IUPACtert-butyl N-(5-formylquinolin-8-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C=O)c2cccnc12
InChIInChI=1S/C15H16N2O3/c1-15(2,3)20-14(19)17-12-7-6-10(9-18)11-5-4-8-16-13(11)12/h4-9H,1-3H3,(H,17,19)
InChIKeyCDETWSIIVZIGRA-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.39
Rot. Bonds2

About tert-butyl N-(5-formylquinolin-8-yl)carbamate

tert-butyl N-(5-formylquinolin-8-yl)carbamate (PubChem CID 155816847) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is tert-butyl N-(5-formylquinolin-8-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-formylquinolin-8-yl)carbamate
PubChem CID155816847
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Nametert-butyl N-(5-formylquinolin-8-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C=O)c2cccnc12
InChIInChI=1S/C15H16N2O3/c1-15(2,3)20-14(19)17-12-7-6-10(9-18)11-5-4-8-16-13(11)12/h4-9H,1-3H3,(H,17,19)
InChIKeyCDETWSIIVZIGRA-UHFFFAOYSA-N
XLogP3.39
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate
CID 66916666
tert-butyl N-[2-formyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 545458
tert-butyl N-(2-formyl-4-methylphenyl)carbamate
CID 84797412
tert-butyl N-(2-ethynyl-3-pyridinyl)carbamate
CID 87248899
tert-butyl N-[4-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]carbamate
CID 142008030
2,2-dimethyl-N-[5-[2-(4-methylphenyl)ethenyl]quinolin-8-yl]propanamide
CID 141483605
tert-butyl N-(2-oxoazepin-3-yl)carbamate
CID 21224786
tert-butyl N-[2-(bromomethyl)-3-pyridinyl]carbamate
CID 133061112
tert-butyl N-(6-bromo-4-formyl-3-pyridinyl)carbamate
CID 130115138
tert-butyl N-(6-chloro-4-formyl-3-pyridinyl)carbamate
CID 58524401
2,2-dimethyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinolin-8-yl]propanamide
CID 141483609
tert-butyl N-(2-formyl-4-nitrophenyl)carbamate
CID 123945071

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-formylquinolin-8-yl)carbamate?
The IUPAC name of tert-butyl N-(5-formylquinolin-8-yl)carbamate (CID 155816847) is tert-butyl N-(5-formylquinolin-8-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-formylquinolin-8-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-formylquinolin-8-yl)carbamate is CC(C)(C)OC(=O)Nc1ccc(C=O)c2cccnc12.
What is the InChIKey of tert-butyl N-(5-formylquinolin-8-yl)carbamate?
The InChIKey is CDETWSIIVZIGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-15(2,3)20-14(19)17-12-7-6-10(9-18)11-5-4-8-16-13(11)12/h4-9H,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-(5-formylquinolin-8-yl)carbamate?
tert-butyl N-(5-formylquinolin-8-yl)carbamate has a molecular weight of 272.30 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-formylquinolin-8-yl)carbamate is sourced from PubChem (CID 155816847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).