9-bromo-4-methyl-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one

C19H15BrN4O — CID 145475424

IUPAC9-bromo-4-methyl-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one
SMILESCc1c[nH]c(=O)c2c1nc(NCc1ccccn1)c1ccc(Br)cc12
InChIInChI=1S/C19H15BrN4O/c1-11-9-23-19(25)16-15-8-12(20)5-6-14(15)18(24-17(11)16)22-10-13-4-2-3-7-21-13/h2-9H,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyNTZOGERSAUYDQW-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.15
Rot. Bonds3

About 9-bromo-4-methyl-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one

9-bromo-4-methyl-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one (PubChem CID 145475424) has the molecular formula C19H15BrN4O and a molecular weight of 395.26 g/mol. Its IUPAC name is 9-bromo-4-methyl-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name9-bromo-4-methyl-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one
PubChem CID145475424
Molecular FormulaC19H15BrN4O
Molecular Weight395.26 g/mol
Exact Mass394.04
IUPAC Name9-bromo-4-methyl-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one
SMILESCc1c[nH]c(=O)c2c1nc(NCc1ccccn1)c1ccc(Br)cc12
InChIInChI=1S/C19H15BrN4O/c1-11-9-23-19(25)16-15-8-12(20)5-6-14(15)18(24-17(11)16)22-10-13-4-2-3-7-21-13/h2-9H,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyNTZOGERSAUYDQW-UHFFFAOYSA-N
XLogP4.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-bromo-6-(3,3-dimethylbutan-2-ylamino)-4-[2-(2-methylphenyl)ethynyl]-2H-benzo[c][1,6]naphthyridin-1-one
CID 59375663
6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21002502
N-benzyl-9-bromo-6-(3,3-dimethylbutan-2-ylamino)-1-oxo-2H-benzo[c][1,6]naphthyridine-4-carboxamide
CID 59375443
9-bromo-6-[(2-methylpyrazol-3-yl)methylamino]-2H-benzo[c][1,6]naphthyridin-1-one
CID 25094963
2,5-dibromo-N-(pyridin-2-ylmethyl)aniline
CID 43736724
2-methyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine chloride
CID 53346777
5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 71922543
9-bromo-4-[cyclopropyl(hydroxy)methyl]-6-(3,3-dimethylbutan-2-ylamino)-2H-benzo[c][1,6]naphthyridin-1-one
CID 59375392
5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline
CID 62913558
N'-acetyl-9-bromo-6-(3,3-dimethylbutan-2-ylamino)-1-oxo-2H-benzo[c][1,6]naphthyridine-4-carbohydrazide
CID 59375669
4-bromo-1-N-methoxy-2-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 144790144
2-(4-bromo-2-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307139

Frequently Asked Questions

What is the IUPAC name of 9-bromo-4-methyl-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one?
The IUPAC name of 9-bromo-4-methyl-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one (CID 145475424) is 9-bromo-4-methyl-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one.
What is the SMILES notation for 9-bromo-4-methyl-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one?
The canonical SMILES for 9-bromo-4-methyl-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one is Cc1c[nH]c(=O)c2c1nc(NCc1ccccn1)c1ccc(Br)cc12.
What is the InChIKey of 9-bromo-4-methyl-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one?
The InChIKey is NTZOGERSAUYDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O/c1-11-9-23-19(25)16-15-8-12(20)5-6-14(15)18(24-17(11)16)22-10-13-4-2-3-7-21-13/h2-9H,10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 9-bromo-4-methyl-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one?
9-bromo-4-methyl-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one has a molecular weight of 395.26 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-4-methyl-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one is sourced from PubChem (CID 145475424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).