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

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

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Related Compounds

3-bromo-6-chloro-N-[(4-methoxyphenyl)methyl]quinolin-2-amine
CID 66800577
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 82222818
2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine
CID 43450854
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 110851643
4-N-[(4-methoxyphenyl)methyl]-2-methylquinazoline-4,7-diamine
CID 68515659
N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71181024
6-bromo-7-[(4-methoxyphenyl)methylamino]-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 167185234
6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 115320291
N-[(4-aminophenyl)methyl]-2-(4-methoxyphenyl)-3H-benzimidazol-5-amine
CID 139827139
5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 65202378
4-bromo-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 65343343
4-bromo-1-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 28903349

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).