3-bromo-8-N-methyl-8-N-(pyridin-4-ylmethyl)quinoline-5,8-diamine

C16H15BrN4 — CID 106949059

IUPAC3-bromo-8-N-methyl-8-N-(pyridin-4-ylmethyl)quinoline-5,8-diamine
SMILESCN(Cc1ccncc1)c1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C16H15BrN4/c1-21(10-11-4-6-19-7-5-11)15-3-2-14(18)13-8-12(17)9-20-16(13)15/h2-9H,10,18H2,1H3
InChIKeyBSMXMWSNELNIHA-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.61
Rot. Bonds3

About 3-bromo-8-N-methyl-8-N-(pyridin-4-ylmethyl)quinoline-5,8-diamine

3-bromo-8-N-methyl-8-N-(pyridin-4-ylmethyl)quinoline-5,8-diamine (PubChem CID 106949059) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 3-bromo-8-N-methyl-8-N-(pyridin-4-ylmethyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name3-bromo-8-N-methyl-8-N-(pyridin-4-ylmethyl)quinoline-5,8-diamine
PubChem CID106949059
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name3-bromo-8-N-methyl-8-N-(pyridin-4-ylmethyl)quinoline-5,8-diamine
SMILESCN(Cc1ccncc1)c1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C16H15BrN4/c1-21(10-11-4-6-19-7-5-11)15-3-2-14(18)13-8-12(17)9-20-16(13)15/h2-9H,10,18H2,1H3
InChIKeyBSMXMWSNELNIHA-UHFFFAOYSA-N
XLogP3.61
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.61
H-Bond Donors ≤ 51
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-(furan-3-ylmethyl)-8-N-methylquinoline-5,8-diamine
CID 106949132
3-bromo-8-N-methyl-8-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine
CID 106949237
3-bromo-8-N-methyl-8-N-(3-methylbutyl)quinoline-5,8-diamine
CID 106949135
3-bromo-8-N-methyl-8-N-(oxan-3-ylmethyl)quinoline-5,8-diamine
CID 106949377
8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine
CID 43450085
1-[(5-amino-3-bromoquinolin-8-yl)-ethylamino]-2-methylpropan-2-ol
CID 106949490
4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 82794707
3-bromo-8-N-cyclopropyl-8-N-(2-methylpropyl)quinoline-5,8-diamine
CID 106949218
2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol
CID 106949605
3-bromo-8-N-(cyclopropylmethyl)-8-N-propan-2-ylquinoline-5,8-diamine
CID 106949222
3-bromo-8-N-(cyclopropylmethyl)-8-N-propylquinoline-5,8-diamine
CID 106949079
3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine
CID 106949847

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-N-methyl-8-N-(pyridin-4-ylmethyl)quinoline-5,8-diamine?
The IUPAC name of 3-bromo-8-N-methyl-8-N-(pyridin-4-ylmethyl)quinoline-5,8-diamine (CID 106949059) is 3-bromo-8-N-methyl-8-N-(pyridin-4-ylmethyl)quinoline-5,8-diamine.
What is the SMILES notation for 3-bromo-8-N-methyl-8-N-(pyridin-4-ylmethyl)quinoline-5,8-diamine?
The canonical SMILES for 3-bromo-8-N-methyl-8-N-(pyridin-4-ylmethyl)quinoline-5,8-diamine is CN(Cc1ccncc1)c1ccc(N)c2cc(Br)cnc12.
What is the InChIKey of 3-bromo-8-N-methyl-8-N-(pyridin-4-ylmethyl)quinoline-5,8-diamine?
The InChIKey is BSMXMWSNELNIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c1-21(10-11-4-6-19-7-5-11)15-3-2-14(18)13-8-12(17)9-20-16(13)15/h2-9H,10,18H2,1H3.
What are the key properties of 3-bromo-8-N-methyl-8-N-(pyridin-4-ylmethyl)quinoline-5,8-diamine?
3-bromo-8-N-methyl-8-N-(pyridin-4-ylmethyl)quinoline-5,8-diamine has a molecular weight of 343.23 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-N-methyl-8-N-(pyridin-4-ylmethyl)quinoline-5,8-diamine is sourced from PubChem (CID 106949059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).