[4-[(3-aminoquinolin-4-yl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentyl]carbamic acid

C21H34N4O3Si — CID 69179366

IUPAC[4-[(3-aminoquinolin-4-yl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentyl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OCC(CCCNC(=O)O)Nc1c(N)cnc2ccccc12
InChIInChI=1S/C21H34N4O3Si/c1-21(2,3)29(4,5)28-14-15(9-8-12-23-20(26)27)25-19-16-10-6-7-11-18(16)24-13-17(19)22/h6-7,10-11,13,15,23H,8-9,12,14,22H2,1-5H3,(H,24,25)(H,26,27)
InChIKeyGKPNZXNPNMJLNU-UHFFFAOYSA-N
MW418.61 g/mol
LogP4.67
Rot. Bonds9

About [4-[(3-aminoquinolin-4-yl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentyl]carbamic acid

[4-[(3-aminoquinolin-4-yl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentyl]carbamic acid (PubChem CID 69179366) has the molecular formula C21H34N4O3Si and a molecular weight of 418.61 g/mol. Its IUPAC name is [4-[(3-aminoquinolin-4-yl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentyl]carbamic acid.

Molecular Properties

Compound Name[4-[(3-aminoquinolin-4-yl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentyl]carbamic acid
PubChem CID69179366
Molecular FormulaC21H34N4O3Si
Molecular Weight418.61 g/mol
Exact Mass418.24
IUPAC Name[4-[(3-aminoquinolin-4-yl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentyl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OCC(CCCNC(=O)O)Nc1c(N)cnc2ccccc12
InChIInChI=1S/C21H34N4O3Si/c1-21(2,3)29(4,5)28-14-15(9-8-12-23-20(26)27)25-19-16-10-6-7-11-18(16)24-13-17(19)22/h6-7,10-11,13,15,23H,8-9,12,14,22H2,1-5H3,(H,24,25)(H,26,27)
InChIKeyGKPNZXNPNMJLNU-UHFFFAOYSA-N
XLogP4.67
TPSA109.50 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.61
LogP ≤ 54.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

[5-[tert-butyl(dimethyl)silyl]oxy-4-[(3-nitroquinolin-4-yl)amino]pentyl]carbamic acid
CID 69192302
4-N-[(2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbutan-2-yl]quinoline-3,4-diamine
CID 86624120
tert-butyl 2-amino-5-[(3-aminoquinolin-4-yl)amino]pentanoate
CID 171035159
tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate
CID 66958404
3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol
CID 113495519
4-N-[(2R)-1-methoxy-3-phenylpropan-2-yl]quinoline-3,4-diamine
CID 162715623
4-N-(4-methylpentyl)quinoline-3,4-diamine
CID 103963269
4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine
CID 106387738
2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide
CID 103963513
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211
4-N-[(2S)-1-ethoxy-3,3-dimethylbutan-2-yl]quinoline-3,4-diamine
CID 156777884
3-[(3-aminoquinolin-4-yl)amino]propyl-tert-butylcarbamic acid
CID 67052445

Frequently Asked Questions

What is the IUPAC name of [4-[(3-aminoquinolin-4-yl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentyl]carbamic acid?
The IUPAC name of [4-[(3-aminoquinolin-4-yl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentyl]carbamic acid (CID 69179366) is [4-[(3-aminoquinolin-4-yl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentyl]carbamic acid.
What is the SMILES notation for [4-[(3-aminoquinolin-4-yl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentyl]carbamic acid?
The canonical SMILES for [4-[(3-aminoquinolin-4-yl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentyl]carbamic acid is CC(C)(C)[Si](C)(C)OCC(CCCNC(=O)O)Nc1c(N)cnc2ccccc12.
What is the InChIKey of [4-[(3-aminoquinolin-4-yl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentyl]carbamic acid?
The InChIKey is GKPNZXNPNMJLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3Si/c1-21(2,3)29(4,5)28-14-15(9-8-12-23-20(26)27)25-19-16-10-6-7-11-18(16)24-13-17(19)22/h6-7,10-11,13,15,23H,8-9,12,14,22H2,1-5H3,(H,24,25)(H,26,27).
What are the key properties of [4-[(3-aminoquinolin-4-yl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentyl]carbamic acid?
[4-[(3-aminoquinolin-4-yl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentyl]carbamic acid has a molecular weight of 418.61 g/mol, XLogP of 4.67, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-aminoquinolin-4-yl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentyl]carbamic acid is sourced from PubChem (CID 69179366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).