1-aminonaphthalene-2-carbaldehyde;2-(4-bromophenyl)benzo[h]quinoline;1-(4-bromophenyl)ethanone

C38H28Br2N2O2 — CID 161223866

IUPAC1-aminonaphthalene-2-carbaldehyde;2-(4-bromophenyl)benzo[h]quinoline;1-(4-bromophenyl)ethanone
SMILESBrc1ccc(-c2ccc3ccc4ccccc4c3n2)cc1.CC(=O)c1ccc(Br)cc1.Nc1c(C=O)ccc2ccccc12
InChIInChI=1S/C19H12BrN.C11H9NO.C8H7BrO/c20-16-10-7-14(8-11-16)18-12-9-15-6-5-13-3-1-2-4-17(13)19(15)21-18;12-11-9(7-13)6-5-8-3-1-2-4-10(8)11;1-6(10)7-2-4-8(9)5-3-7/h1-12H;1-7H,12H2;2-5H,1H3
InChIKeyUXWGNMLDJQULDP-UHFFFAOYSA-N
MW704.46 g/mol
LogP10.70
Rot. Bonds3

About 1-aminonaphthalene-2-carbaldehyde;2-(4-bromophenyl)benzo[h]quinoline;1-(4-bromophenyl)ethanone

1-aminonaphthalene-2-carbaldehyde;2-(4-bromophenyl)benzo[h]quinoline;1-(4-bromophenyl)ethanone (PubChem CID 161223866) has the molecular formula C38H28Br2N2O2 and a molecular weight of 704.46 g/mol. Its IUPAC name is 1-aminonaphthalene-2-carbaldehyde;2-(4-bromophenyl)benzo[h]quinoline;1-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name1-aminonaphthalene-2-carbaldehyde;2-(4-bromophenyl)benzo[h]quinoline;1-(4-bromophenyl)ethanone
PubChem CID161223866
Molecular FormulaC38H28Br2N2O2
Molecular Weight704.46 g/mol
Exact Mass702.05
IUPAC Name1-aminonaphthalene-2-carbaldehyde;2-(4-bromophenyl)benzo[h]quinoline;1-(4-bromophenyl)ethanone
SMILESBrc1ccc(-c2ccc3ccc4ccccc4c3n2)cc1.CC(=O)c1ccc(Br)cc1.Nc1c(C=O)ccc2ccccc12
InChIInChI=1S/C19H12BrN.C11H9NO.C8H7BrO/c20-16-10-7-14(8-11-16)18-12-9-15-6-5-13-3-1-2-4-17(13)19(15)21-18;12-11-9(7-13)6-5-8-3-1-2-4-10(8)11;1-6(10)7-2-4-8(9)5-3-7/h1-12H;1-7H,12H2;2-5H,1H3
InChIKeyUXWGNMLDJQULDP-UHFFFAOYSA-N
XLogP10.70
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.46
LogP ≤ 510.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3-(4-Bromophenyl)-1-(2-methyl-4-phenyl-3-quinolyl)prop-2-en-1-one
CID 139078807
(8-Methylacridin-4-yl)-naphthalen-1-ylmethanone
CID 146169350
(E)-1-[4-[(E)-2-(4-bromophenyl)ethenyl]-2-methylquinolin-3-yl]-3-phenylprop-2-en-1-one
CID 162395793
(4-Amino-2-phenylquinolin-3-yl)-(4-bromophenyl)methanone
CID 23643299
2-bromo-N-(4-methylphenyl)-5,6,7,8-tetraphenylquinoline-4-carboxamide
CID 54577494
(4-Methyl-2,7-diphenylquinolin-8-yl)-phenylmethanone
CID 71605968
3-(4-Bromophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one
CID 91168952
(2,4-Dimethyl-7-phenylquinolin-8-yl)-phenylmethanone
CID 102442751
[2,4-Dimethyl-7-(4-methylphenyl)quinolin-8-yl]-phenylmethanone
CID 102442752
Acridinyl amino anthraquinone
CID 129696506
2-Methylnaphtho-[2,3-h]quinoline-7,12-dione
CID 129752040
2-Phenylnaphtho[2,3-h]quinoline-7,12-dione
CID 129801529

Frequently Asked Questions

What is the IUPAC name of 1-aminonaphthalene-2-carbaldehyde;2-(4-bromophenyl)benzo[h]quinoline;1-(4-bromophenyl)ethanone?
The IUPAC name of 1-aminonaphthalene-2-carbaldehyde;2-(4-bromophenyl)benzo[h]quinoline;1-(4-bromophenyl)ethanone (CID 161223866) is 1-aminonaphthalene-2-carbaldehyde;2-(4-bromophenyl)benzo[h]quinoline;1-(4-bromophenyl)ethanone.
What is the SMILES notation for 1-aminonaphthalene-2-carbaldehyde;2-(4-bromophenyl)benzo[h]quinoline;1-(4-bromophenyl)ethanone?
The canonical SMILES for 1-aminonaphthalene-2-carbaldehyde;2-(4-bromophenyl)benzo[h]quinoline;1-(4-bromophenyl)ethanone is Brc1ccc(-c2ccc3ccc4ccccc4c3n2)cc1.CC(=O)c1ccc(Br)cc1.Nc1c(C=O)ccc2ccccc12.
What is the InChIKey of 1-aminonaphthalene-2-carbaldehyde;2-(4-bromophenyl)benzo[h]quinoline;1-(4-bromophenyl)ethanone?
The InChIKey is UXWGNMLDJQULDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN.C11H9NO.C8H7BrO/c20-16-10-7-14(8-11-16)18-12-9-15-6-5-13-3-1-2-4-17(13)19(15)21-18;12-11-9(7-13)6-5-8-3-1-2-4-10(8)11;1-6(10)7-2-4-8(9)5-3-7/h1-12H;1-7H,12H2;2-5H,1H3.
What are the key properties of 1-aminonaphthalene-2-carbaldehyde;2-(4-bromophenyl)benzo[h]quinoline;1-(4-bromophenyl)ethanone?
1-aminonaphthalene-2-carbaldehyde;2-(4-bromophenyl)benzo[h]quinoline;1-(4-bromophenyl)ethanone has a molecular weight of 704.46 g/mol, XLogP of 10.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminonaphthalene-2-carbaldehyde;2-(4-bromophenyl)benzo[h]quinoline;1-(4-bromophenyl)ethanone is sourced from PubChem (CID 161223866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).