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

C16H23N3O3 — CID 103817909

IUPACtert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)18-9-8-17-12-5-6-13-11(10-12)4-7-14(20)19-13/h5-6,10,17H,4,7-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyLYZWAHFUGOTXHA-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.51
Rot. Bonds4

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

tert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate (PubChem CID 103817909) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate
PubChem CID103817909
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Nametert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)18-9-8-17-12-5-6-13-11(10-12)4-7-14(20)19-13/h5-6,10,17H,4,7-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyLYZWAHFUGOTXHA-UHFFFAOYSA-N
XLogP2.51
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.51
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-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate
CID 103821832
6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737958
6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 115205137
tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethyl]carbamate
CID 134580304
6-(cyclopropylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43738023
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanenitrile
CID 115231431
6-(cyclopentylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 62071402
3-amino-2,2,3-trimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 65264946
tert-butyl N-[(Z)-3-fluoro-2-[hydroxy-(2-oxo-3,4,5,6-tetrahydro-1H-1-benzazocin-8-yl)methyl]prop-2-enyl]carbamate
CID 175398834
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052
tert-butyl N-[(Z)-3-fluoro-2-[hydroxy-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]prop-2-enyl]carbamate
CID 155339185
3-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
CID 115122854

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate (CID 103817909) is tert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of tert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate?
The InChIKey is LYZWAHFUGOTXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)18-9-8-17-12-5-6-13-11(10-12)4-7-14(20)19-13/h5-6,10,17H,4,7-9H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of tert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate?
tert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate has a molecular weight of 305.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate is sourced from PubChem (CID 103817909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).