tert-butyl N-(quinoline-6-carbonylamino)carbamate

C15H17N3O3 — CID 155213246

IUPACtert-butyl N-(quinoline-6-carbonylamino)carbamate
SMILESCC(C)(C)OC(=O)NNC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C15H17N3O3/c1-15(2,3)21-14(20)18-17-13(19)11-6-7-12-10(9-11)5-4-8-16-12/h4-9H,1-3H3,(H,17,19)(H,18,20)
InChIKeySTJPCXRQIAEMPN-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.40
Rot. Bonds1

About tert-butyl N-(quinoline-6-carbonylamino)carbamate

tert-butyl N-(quinoline-6-carbonylamino)carbamate (PubChem CID 155213246) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is tert-butyl N-(quinoline-6-carbonylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(quinoline-6-carbonylamino)carbamate
PubChem CID155213246
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nametert-butyl N-(quinoline-6-carbonylamino)carbamate
SMILESCC(C)(C)OC(=O)NNC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C15H17N3O3/c1-15(2,3)21-14(20)18-17-13(19)11-6-7-12-10(9-11)5-4-8-16-12/h4-9H,1-3H3,(H,17,19)(H,18,20)
InChIKeySTJPCXRQIAEMPN-UHFFFAOYSA-N
XLogP2.40
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(quinoline-6-carbonylamino)propanoic acid
CID 62849360
N-(1-amino-2-methylpropan-2-yl)quinoline-6-carboxamide
CID 63194016
ethane;quinoline-6-carboxylic acid
CID 91364452
tert-butyl benzo[g]quinoline-7-carboxylate
CID 141276812
tert-butyl N-(3-quinolin-6-ylprop-2-ynyl)carbamate
CID 11687791
N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide
CID 111480649
tert-butyl N-[(6-chloropyridine-3-carbonyl)amino]carbamate
CID 16654125
N-(1-amino-3-methylpentan-3-yl)quinoline-6-carboxamide
CID 106164388
tert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate
CID 142472999
tert-butyl N-[(3-amino-4-hydroxybenzoyl)amino]carbamate
CID 67765806
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(quinoline-6-carbonylamino)carbamate?
The IUPAC name of tert-butyl N-(quinoline-6-carbonylamino)carbamate (CID 155213246) is tert-butyl N-(quinoline-6-carbonylamino)carbamate.
What is the SMILES notation for tert-butyl N-(quinoline-6-carbonylamino)carbamate?
The canonical SMILES for tert-butyl N-(quinoline-6-carbonylamino)carbamate is CC(C)(C)OC(=O)NNC(=O)c1ccc2ncccc2c1.
What is the InChIKey of tert-butyl N-(quinoline-6-carbonylamino)carbamate?
The InChIKey is STJPCXRQIAEMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-15(2,3)21-14(20)18-17-13(19)11-6-7-12-10(9-11)5-4-8-16-12/h4-9H,1-3H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-(quinoline-6-carbonylamino)carbamate?
tert-butyl N-(quinoline-6-carbonylamino)carbamate has a molecular weight of 287.32 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(quinoline-6-carbonylamino)carbamate is sourced from PubChem (CID 155213246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).