2-benzo[h]quinolin-10-yl-5-bromoaniline

C19H13BrN2 — CID 129037776

IUPAC2-benzo[h]quinolin-10-yl-5-bromoaniline
SMILESNc1cc(Br)ccc1-c1cccc2ccc3cccnc3c12
InChIInChI=1S/C19H13BrN2/c20-14-8-9-15(17(21)11-14)16-5-1-3-12-6-7-13-4-2-10-22-19(13)18(12)16/h1-11H,21H2
InChIKeySERDZOZBNFAWPN-UHFFFAOYSA-N
MW349.23 g/mol
LogP5.40
Rot. Bonds1

About 2-benzo[h]quinolin-10-yl-5-bromoaniline

2-benzo[h]quinolin-10-yl-5-bromoaniline (PubChem CID 129037776) has the molecular formula C19H13BrN2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-benzo[h]quinolin-10-yl-5-bromoaniline.

Molecular Properties

Compound Name2-benzo[h]quinolin-10-yl-5-bromoaniline
PubChem CID129037776
Molecular FormulaC19H13BrN2
Molecular Weight349.23 g/mol
Exact Mass348.03
IUPAC Name2-benzo[h]quinolin-10-yl-5-bromoaniline
SMILESNc1cc(Br)ccc1-c1cccc2ccc3cccnc3c12
InChIInChI=1S/C19H13BrN2/c20-14-8-9-15(17(21)11-14)16-5-1-3-12-6-7-13-4-2-10-22-19(13)18(12)16/h1-11H,21H2
InChIKeySERDZOZBNFAWPN-UHFFFAOYSA-N
XLogP5.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.23
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-benzo[h]quinolin-10-yl-5-bromoaniline?
The IUPAC name of 2-benzo[h]quinolin-10-yl-5-bromoaniline (CID 129037776) is 2-benzo[h]quinolin-10-yl-5-bromoaniline.
What is the SMILES notation for 2-benzo[h]quinolin-10-yl-5-bromoaniline?
The canonical SMILES for 2-benzo[h]quinolin-10-yl-5-bromoaniline is Nc1cc(Br)ccc1-c1cccc2ccc3cccnc3c12.
What is the InChIKey of 2-benzo[h]quinolin-10-yl-5-bromoaniline?
The InChIKey is SERDZOZBNFAWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2/c20-14-8-9-15(17(21)11-14)16-5-1-3-12-6-7-13-4-2-10-22-19(13)18(12)16/h1-11H,21H2.
What are the key properties of 2-benzo[h]quinolin-10-yl-5-bromoaniline?
2-benzo[h]quinolin-10-yl-5-bromoaniline has a molecular weight of 349.23 g/mol, XLogP of 5.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[h]quinolin-10-yl-5-bromoaniline is sourced from PubChem (CID 129037776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).