tert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate

C17H25N3O3 — CID 103821832

IUPACtert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)19-10-4-9-18-13-6-7-14-12(11-13)5-8-15(21)20-14/h6-7,11,18H,4-5,8-10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyAFGCARDYYHQYJI-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.90
Rot. Bonds5

About tert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate

tert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate (PubChem CID 103821832) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is tert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate
PubChem CID103821832
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Nametert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)19-10-4-9-18-13-6-7-14-12(11-13)5-8-15(21)20-14/h6-7,11,18H,4-5,8-10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyAFGCARDYYHQYJI-UHFFFAOYSA-N
XLogP2.90
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate
CID 103817909
6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 115205137
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanenitrile
CID 115231431
tert-butyl N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]carbamate
CID 164540922
tert-butyl N-[3-(3-bromo-4-fluoroanilino)propyl]carbamate
CID 104776214
tert-butyl N-[3-(3-sulfanylanilino)propyl]carbamate
CID 163658111
tert-butyl N-[5-[3-(2,6-dioxopiperidin-3-yl)anilino]pentyl]carbamate
CID 164540949
3-amino-2,2,3-trimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 65264946
6-(cyclopropylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43738023
tert-butyl N-[3-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]propyl]carbamate
CID 103821736
tert-butyl N-[3-[4-(methylcarbamoyl)anilino]propyl]carbamate
CID 103821711
tert-butyl N-[3-(4-methyl-3-sulfamoylanilino)propyl]carbamate
CID 103821639

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate (CID 103821832) is tert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate is CC(C)(C)OC(=O)NCCCNc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of tert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate?
The InChIKey is AFGCARDYYHQYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)19-10-4-9-18-13-6-7-14-12(11-13)5-8-15(21)20-14/h6-7,11,18H,4-5,8-10H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of tert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate?
tert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate has a molecular weight of 319.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate is sourced from PubChem (CID 103821832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).