3-amino-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,4-dihydroquinolin-2-one

C18H30N2O2Si — CID 58721822

IUPAC3-amino-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,4-dihydroquinolin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCCN1C(=O)C(N)Cc2ccccc21
InChIInChI=1S/C18H30N2O2Si/c1-18(2,3)23(4,5)22-12-8-11-20-16-10-7-6-9-14(16)13-15(19)17(20)21/h6-7,9-10,15H,8,11-13,19H2,1-5H3
InChIKeyDKCNQWDJEQMERX-UHFFFAOYSA-N
MW334.54 g/mol
LogP3.31
Rot. Bonds5

About 3-amino-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,4-dihydroquinolin-2-one

3-amino-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,4-dihydroquinolin-2-one (PubChem CID 58721822) has the molecular formula C18H30N2O2Si and a molecular weight of 334.54 g/mol. Its IUPAC name is 3-amino-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3-amino-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,4-dihydroquinolin-2-one
PubChem CID58721822
Molecular FormulaC18H30N2O2Si
Molecular Weight334.54 g/mol
Exact Mass334.21
IUPAC Name3-amino-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,4-dihydroquinolin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCCN1C(=O)C(N)Cc2ccccc21
InChIInChI=1S/C18H30N2O2Si/c1-18(2,3)23(4,5)22-12-8-11-20-16-10-7-6-9-14(16)13-15(19)17(20)21/h6-7,9-10,15H,8,11-13,19H2,1-5H3
InChIKeyDKCNQWDJEQMERX-UHFFFAOYSA-N
XLogP3.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 142801731
CID 142801731
(3S)-3-amino-1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-3,4-dihydroquinolin-2-one
CID 129384424
(3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one
CID 178034232
2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione
CID 159105396
(3R)-3-amino-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride
CID 69196199
tert-butyl-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-dimethylsilane
CID 152675325
3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-phenyl-1,3-diazinane-2,4-dione
CID 58719562
2-(3-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N,N-dimethylacetamide
CID 68898482
(3S)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one
CID 141190377
3-bromo-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one
CID 23114648
2-amino-4-(3-methoxypropyl)-1,4-benzoxazin-3-one
CID 141178807
2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 18788179

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 3-amino-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,4-dihydroquinolin-2-one (CID 58721822) is 3-amino-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 3-amino-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 3-amino-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,4-dihydroquinolin-2-one is CC(C)(C)[Si](C)(C)OCCCN1C(=O)C(N)Cc2ccccc21.
What is the InChIKey of 3-amino-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,4-dihydroquinolin-2-one?
The InChIKey is DKCNQWDJEQMERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2Si/c1-18(2,3)23(4,5)22-12-8-11-20-16-10-7-6-9-14(16)13-15(19)17(20)21/h6-7,9-10,15H,8,11-13,19H2,1-5H3.
What are the key properties of 3-amino-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,4-dihydroquinolin-2-one?
3-amino-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,4-dihydroquinolin-2-one has a molecular weight of 334.54 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 58721822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).