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

C16H20BrN3 — CID 106949397

IUPAC3-bromo-8-N-(1-cyclopropylbutan-2-yl)quinoline-5,8-diamine
SMILESCCC(CC1CC1)Nc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C16H20BrN3/c1-2-12(7-10-3-4-10)20-15-6-5-14(18)13-8-11(17)9-19-16(13)15/h5-6,8-10,12,20H,2-4,7,18H2,1H3
InChIKeyOIQXPXNDUDLOGF-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.57
Rot. Bonds5

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

3-bromo-8-N-(1-cyclopropylbutan-2-yl)quinoline-5,8-diamine (PubChem CID 106949397) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-bromo-8-N-(1-cyclopropylbutan-2-yl)quinoline-5,8-diamine.

Molecular Properties

Compound Name3-bromo-8-N-(1-cyclopropylbutan-2-yl)quinoline-5,8-diamine
PubChem CID106949397
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name3-bromo-8-N-(1-cyclopropylbutan-2-yl)quinoline-5,8-diamine
SMILESCCC(CC1CC1)Nc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C16H20BrN3/c1-2-12(7-10-3-4-10)20-15-6-5-14(18)13-8-11(17)9-19-16(13)15/h5-6,8-10,12,20H,2-4,7,18H2,1H3
InChIKeyOIQXPXNDUDLOGF-UHFFFAOYSA-N
XLogP4.57
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-bromo-8-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-5,8-diamine
CID 106949172
3-bromo-8-N-(2-cyclohexylethyl)quinoline-5,8-diamine
CID 106949103
2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-ethylpropanamide
CID 106949177
3-bromo-8-N-(3-cyclopentylpropyl)quinoline-5,8-diamine
CID 106007211
3-[(5-amino-3-bromoquinolin-8-yl)amino]butanamide
CID 106949644
1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol
CID 106949641
5-bromo-3-chloro-N-(1-cyclopropylbutan-2-yl)pyridin-2-amine
CID 103582526
3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine
CID 106949601
3-bromo-8-N-pentylquinoline-5,8-diamine
CID 106948914
3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine
CID 106949703

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-N-(1-cyclopropylbutan-2-yl)quinoline-5,8-diamine?
The IUPAC name of 3-bromo-8-N-(1-cyclopropylbutan-2-yl)quinoline-5,8-diamine (CID 106949397) is 3-bromo-8-N-(1-cyclopropylbutan-2-yl)quinoline-5,8-diamine.
What is the SMILES notation for 3-bromo-8-N-(1-cyclopropylbutan-2-yl)quinoline-5,8-diamine?
The canonical SMILES for 3-bromo-8-N-(1-cyclopropylbutan-2-yl)quinoline-5,8-diamine is CCC(CC1CC1)Nc1ccc(N)c2cc(Br)cnc12.
What is the InChIKey of 3-bromo-8-N-(1-cyclopropylbutan-2-yl)quinoline-5,8-diamine?
The InChIKey is OIQXPXNDUDLOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-2-12(7-10-3-4-10)20-15-6-5-14(18)13-8-11(17)9-19-16(13)15/h5-6,8-10,12,20H,2-4,7,18H2,1H3.
What are the key properties of 3-bromo-8-N-(1-cyclopropylbutan-2-yl)quinoline-5,8-diamine?
3-bromo-8-N-(1-cyclopropylbutan-2-yl)quinoline-5,8-diamine has a molecular weight of 334.26 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-N-(1-cyclopropylbutan-2-yl)quinoline-5,8-diamine is sourced from PubChem (CID 106949397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).