4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-4,8-diamine

C15H16N4O — CID 106369914

IUPAC4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-4,8-diamine
SMILESCc1nc(CNc2ccnc3c(N)cccc23)oc1C
InChIInChI=1S/C15H16N4O/c1-9-10(2)20-14(19-9)8-18-13-6-7-17-15-11(13)4-3-5-12(15)16/h3-7H,8,16H2,1-2H3,(H,17,18)
InChIKeyUHYNJFISSZRFKJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.03
Rot. Bonds3

About 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-4,8-diamine

4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-4,8-diamine (PubChem CID 106369914) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-4,8-diamine
PubChem CID106369914
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-4,8-diamine
SMILESCc1nc(CNc2ccnc3c(N)cccc23)oc1C
InChIInChI=1S/C15H16N4O/c1-9-10(2)20-14(19-9)8-18-13-6-7-17-15-11(13)4-3-5-12(15)16/h3-7H,8,16H2,1-2H3,(H,17,18)
InChIKeyUHYNJFISSZRFKJ-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3Z,6Z)-3-[(5-tert-butyl-1,3-oxazol-4-yl)methylidene]-6-(quinolin-4-ylmethylidene)piperazine-2,5-dione
CID 16068449
2-(aminomethyl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-4-carboxamide
CID 131900939
2,4-dimethyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-5-carboxamide
CID 131911967
2-[4-[(7-Fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol
CID 167200255
8-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine
CID 106369370
7-fluoro-8-N-[(5-methyl-1,3-oxazol-2-yl)methyl]quinoline-5,8-diamine
CID 106369619
8-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine
CID 106369883
7-fluoro-8-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-5,8-diamine
CID 106387602
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-8-fluoroquinolin-4-amine
CID 119046010
4-[[1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methylamino]-6-fluoro-8-methylquinoline-3-carbonitrile
CID 133322234
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-2-methylquinolin-4-amine
CID 133388792
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-8-fluoro-2-methylquinolin-4-amine
CID 133388805

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-4,8-diamine?
The IUPAC name of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-4,8-diamine (CID 106369914) is 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-4,8-diamine.
What is the SMILES notation for 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-4,8-diamine?
The canonical SMILES for 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-4,8-diamine is Cc1nc(CNc2ccnc3c(N)cccc23)oc1C.
What is the InChIKey of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-4,8-diamine?
The InChIKey is UHYNJFISSZRFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-10(2)20-14(19-9)8-18-13-6-7-17-15-11(13)4-3-5-12(15)16/h3-7H,8,16H2,1-2H3,(H,17,18).
What are the key properties of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-4,8-diamine?
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-4,8-diamine has a molecular weight of 268.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-4,8-diamine is sourced from PubChem (CID 106369914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).