4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine

C15H16N4O — CID 106387738

IUPAC4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine
SMILESCc1cnc(C(C)Nc2c(N)cnc3ccccc23)o1
InChIInChI=1S/C15H16N4O/c1-9-7-18-15(20-9)10(2)19-14-11-5-3-4-6-13(11)17-8-12(14)16/h3-8,10H,16H2,1-2H3,(H,17,19)
InChIKeyNNHTTWSDKWEBFV-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.29
Rot. Bonds3

About 4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine

4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine (PubChem CID 106387738) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine
PubChem CID106387738
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine
SMILESCc1cnc(C(C)Nc2c(N)cnc3ccccc23)o1
InChIInChI=1S/C15H16N4O/c1-9-7-18-15(20-9)10(2)19-14-11-5-3-4-6-13(11)17-8-12(14)16/h3-8,10H,16H2,1-2H3,(H,17,19)
InChIKeyNNHTTWSDKWEBFV-UHFFFAOYSA-N
XLogP3.29
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 106387648
4-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-3,4-diamine
CID 106217212
4-N-[(2R)-1-phenylpropan-2-yl]quinoline-3,4-diamine
CID 155388769
(2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol
CID 114982592
5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine
CID 106387732
2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide
CID 103963513
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 106544922
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine
CID 103963293
4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106387726
4-bromo-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 106387609
4-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 114182279
[(4R)-4-[(3-aminoquinolin-4-yl)amino]-1-phenylpentan-2-yl]carbamic acid
CID 66620004

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine?
The IUPAC name of 4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine (CID 106387738) is 4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine.
What is the SMILES notation for 4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine?
The canonical SMILES for 4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine is Cc1cnc(C(C)Nc2c(N)cnc3ccccc23)o1.
What is the InChIKey of 4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine?
The InChIKey is NNHTTWSDKWEBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-7-18-15(20-9)10(2)19-14-11-5-3-4-6-13(11)17-8-12(14)16/h3-8,10H,16H2,1-2H3,(H,17,19).
What are the key properties of 4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine?
4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine has a molecular weight of 268.32 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine is sourced from PubChem (CID 106387738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).