4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine

C13H12N4O — CID 114185848

IUPAC4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1NCc1ccno1
InChIInChI=1S/C13H12N4O/c14-11-8-15-12-4-2-1-3-10(12)13(11)16-7-9-5-6-17-18-9/h1-6,8H,7,14H2,(H,15,16)
InChIKeyKMBSOGVNHOFWEO-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.42
Rot. Bonds3

About 4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine

4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine (PubChem CID 114185848) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine
PubChem CID114185848
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1NCc1ccno1
InChIInChI=1S/C13H12N4O/c14-11-8-15-12-4-2-1-3-10(12)13(11)16-7-9-5-6-17-18-9/h1-6,8H,7,14H2,(H,15,16)
InChIKeyKMBSOGVNHOFWEO-UHFFFAOYSA-N
XLogP2.42
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
CID 103963516
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211
4-N-[(2,5-difluorophenyl)methyl]quinoline-3,4-diamine
CID 103963319
4-N-[(5-methylpyrazin-2-yl)methyl]quinoline-3,4-diamine
CID 103963247
4-(1,2-oxazol-5-ylmethylamino)cinnoline-3-carboxylic acid
CID 106419238
4-N-(phosphanyloxymethyl)quinoline-3,4-diamine
CID 58294727
N-(1,2-oxazol-5-ylmethyl)cinnolin-4-amine
CID 114186432
4-N-(cyclopropylmethyl)quinoline-3,4-diamine
CID 103962731
4-N-(cyclopentylmethyl)quinoline-3,4-diamine
CID 113359398
4-N-(2-pyrazol-1-ylethyl)quinoline-3,4-diamine
CID 103963005

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine (CID 114185848) is 4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine is Nc1cnc2ccccc2c1NCc1ccno1.
What is the InChIKey of 4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine?
The InChIKey is KMBSOGVNHOFWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-11-8-15-12-4-2-1-3-10(12)13(11)16-7-9-5-6-17-18-9/h1-6,8H,7,14H2,(H,15,16).
What are the key properties of 4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine?
4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine has a molecular weight of 240.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine is sourced from PubChem (CID 114185848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).