3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine

C16H16BrN3S — CID 106949355

IUPAC3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine
SMILESCC(Cc1cccs1)Nc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C16H16BrN3S/c1-10(7-12-3-2-6-21-12)20-15-5-4-14(18)13-8-11(17)9-19-16(13)15/h2-6,8-10,20H,7,18H2,1H3
InChIKeyOKDWFAXZJVOYMH-UHFFFAOYSA-N
MW362.30 g/mol
LogP4.68
Rot. Bonds4

About 3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine

3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine (PubChem CID 106949355) has the molecular formula C16H16BrN3S and a molecular weight of 362.30 g/mol. Its IUPAC name is 3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine.

Molecular Properties

Compound Name3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine
PubChem CID106949355
Molecular FormulaC16H16BrN3S
Molecular Weight362.30 g/mol
Exact Mass361.02
IUPAC Name3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine
SMILESCC(Cc1cccs1)Nc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C16H16BrN3S/c1-10(7-12-3-2-6-21-12)20-15-5-4-14(18)13-8-11(17)9-19-16(13)15/h2-6,8-10,20H,7,18H2,1H3
InChIKeyOKDWFAXZJVOYMH-UHFFFAOYSA-N
XLogP4.68
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-8-N-pentan-2-ylquinoline-5,8-diamine
CID 106948910
3-bromo-8-N-(1-methylsulfonylpropan-2-yl)quinoline-5,8-diamine
CID 106949431
3-[(5-amino-3-bromoquinolin-8-yl)amino]butanamide
CID 106949644
3-bromo-8-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-5,8-diamine
CID 106949172
2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-ethylpropanamide
CID 106949177
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine
CID 83061047
3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine
CID 106949703
5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine
CID 103518129
5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796179
2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63295984
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine
CID 103963293
3-bromo-8-N-(1-cyclopropylbutan-2-yl)quinoline-5,8-diamine
CID 106949397

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine?
The IUPAC name of 3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine (CID 106949355) is 3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine.
What is the SMILES notation for 3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine?
The canonical SMILES for 3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine is CC(Cc1cccs1)Nc1ccc(N)c2cc(Br)cnc12.
What is the InChIKey of 3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine?
The InChIKey is OKDWFAXZJVOYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3S/c1-10(7-12-3-2-6-21-12)20-15-5-4-14(18)13-8-11(17)9-19-16(13)15/h2-6,8-10,20H,7,18H2,1H3.
What are the key properties of 3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine?
3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine has a molecular weight of 362.30 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine is sourced from PubChem (CID 106949355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).