6-(5-amino-3-pyridinyl)-3-bromo-N-[(4-methoxyphenyl)methyl]quinolin-2-amine

C22H19BrN4O — CID 66800812

IUPAC6-(5-amino-3-pyridinyl)-3-bromo-N-[(4-methoxyphenyl)methyl]quinolin-2-amine
SMILESCOc1ccc(CNc2nc3ccc(-c4cncc(N)c4)cc3cc2Br)cc1
InChIInChI=1S/C22H19BrN4O/c1-28-19-5-2-14(3-6-19)11-26-22-20(23)10-16-8-15(4-7-21(16)27-22)17-9-18(24)13-25-12-17/h2-10,12-13H,11,24H2,1H3,(H,26,27)
InChIKeyALPODOOEQKDQII-UHFFFAOYSA-N
MW435.33 g/mol
LogP5.26
Rot. Bonds5

About 6-(5-amino-3-pyridinyl)-3-bromo-N-[(4-methoxyphenyl)methyl]quinolin-2-amine

6-(5-amino-3-pyridinyl)-3-bromo-N-[(4-methoxyphenyl)methyl]quinolin-2-amine (PubChem CID 66800812) has the molecular formula C22H19BrN4O and a molecular weight of 435.33 g/mol. Its IUPAC name is 6-(5-amino-3-pyridinyl)-3-bromo-N-[(4-methoxyphenyl)methyl]quinolin-2-amine.

Molecular Properties

Compound Name6-(5-amino-3-pyridinyl)-3-bromo-N-[(4-methoxyphenyl)methyl]quinolin-2-amine
PubChem CID66800812
Molecular FormulaC22H19BrN4O
Molecular Weight435.33 g/mol
Exact Mass434.07
IUPAC Name6-(5-amino-3-pyridinyl)-3-bromo-N-[(4-methoxyphenyl)methyl]quinolin-2-amine
SMILESCOc1ccc(CNc2nc3ccc(-c4cncc(N)c4)cc3cc2Br)cc1
InChIInChI=1S/C22H19BrN4O/c1-28-19-5-2-14(3-6-19)11-26-22-20(23)10-16-8-15(4-7-21(16)27-22)17-9-18(24)13-25-12-17/h2-10,12-13H,11,24H2,1H3,(H,26,27)
InChIKeyALPODOOEQKDQII-UHFFFAOYSA-N
XLogP5.26
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.33
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-3-pyridinyl)-3-bromo-N-[(4-methoxyphenyl)methyl]quinolin-2-amine?
The IUPAC name of 6-(5-amino-3-pyridinyl)-3-bromo-N-[(4-methoxyphenyl)methyl]quinolin-2-amine (CID 66800812) is 6-(5-amino-3-pyridinyl)-3-bromo-N-[(4-methoxyphenyl)methyl]quinolin-2-amine.
What is the SMILES notation for 6-(5-amino-3-pyridinyl)-3-bromo-N-[(4-methoxyphenyl)methyl]quinolin-2-amine?
The canonical SMILES for 6-(5-amino-3-pyridinyl)-3-bromo-N-[(4-methoxyphenyl)methyl]quinolin-2-amine is COc1ccc(CNc2nc3ccc(-c4cncc(N)c4)cc3cc2Br)cc1.
What is the InChIKey of 6-(5-amino-3-pyridinyl)-3-bromo-N-[(4-methoxyphenyl)methyl]quinolin-2-amine?
The InChIKey is ALPODOOEQKDQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O/c1-28-19-5-2-14(3-6-19)11-26-22-20(23)10-16-8-15(4-7-21(16)27-22)17-9-18(24)13-25-12-17/h2-10,12-13H,11,24H2,1H3,(H,26,27).
What are the key properties of 6-(5-amino-3-pyridinyl)-3-bromo-N-[(4-methoxyphenyl)methyl]quinolin-2-amine?
6-(5-amino-3-pyridinyl)-3-bromo-N-[(4-methoxyphenyl)methyl]quinolin-2-amine has a molecular weight of 435.33 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-3-pyridinyl)-3-bromo-N-[(4-methoxyphenyl)methyl]quinolin-2-amine is sourced from PubChem (CID 66800812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).