5-(aminomethyl)-2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione

C19H13BrN2O3 — CID 142297635

IUPAC5-(aminomethyl)-2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione
SMILESNCc1ccc2c(c1)C(=O)C(c1nc3ccccc3c(Br)c1O)C2=O
InChIInChI=1S/C19H13BrN2O3/c20-15-11-3-1-2-4-13(11)22-16(19(15)25)14-17(23)10-6-5-9(8-21)7-12(10)18(14)24/h1-7,14,25H,8,21H2
InChIKeyLZYCXHUKVRTZSN-UHFFFAOYSA-N
MW397.23 g/mol
LogP3.32
Rot. Bonds2

About 5-(aminomethyl)-2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione

5-(aminomethyl)-2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione (PubChem CID 142297635) has the molecular formula C19H13BrN2O3 and a molecular weight of 397.23 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione.

Molecular Properties

Compound Name5-(aminomethyl)-2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione
PubChem CID142297635
Molecular FormulaC19H13BrN2O3
Molecular Weight397.23 g/mol
Exact Mass396.01
IUPAC Name5-(aminomethyl)-2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione
SMILESNCc1ccc2c(c1)C(=O)C(c1nc3ccccc3c(Br)c1O)C2=O
InChIInChI=1S/C19H13BrN2O3/c20-15-11-3-1-2-4-13(11)22-16(19(15)25)14-17(23)10-6-5-9(8-21)7-12(10)18(14)24/h1-7,14,25H,8,21H2
InChIKeyLZYCXHUKVRTZSN-UHFFFAOYSA-N
XLogP3.32
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-2,4,6,8,10(36),11,13,15,19,21,23,25,27(35),28,30,32-hexadecaene-17,34-dione
CID 14198931
acridin-9-ylmethanamine;hydrochloride
CID 146014034
(3,4-diphenylphenyl)methanamine
CID 174401792
5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2-(3-hydroxyquinolin-2-yl)indene-1,3-dione
CID 123749929
3-[4-(aminomethyl)phenyl]-6-bromo-2-phenylquinoxalin-5-ol
CID 136649032
4-bromo-2-(4-chlorophenyl)quinolin-3-ol
CID 177441315
(4-phenanthridin-6-ylphenyl)methanamine
CID 174909278
(2S)-6-bromo-2-quinolin-2-ylphenalene-1,3-dione
CID 98456871
2-[[4-(aminomethyl)phenyl]sulfanylmethyl]-3H-quinazolin-4-one
CID 136713863
naphthalene-2,6-diol;phenylmethanamine
CID 11482538
naphthalene-2,6-diol;phenylmethanamine
CID 139184911
2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one
CID 135579414

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione?
The IUPAC name of 5-(aminomethyl)-2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione (CID 142297635) is 5-(aminomethyl)-2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione.
What is the SMILES notation for 5-(aminomethyl)-2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione?
The canonical SMILES for 5-(aminomethyl)-2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione is NCc1ccc2c(c1)C(=O)C(c1nc3ccccc3c(Br)c1O)C2=O.
What is the InChIKey of 5-(aminomethyl)-2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione?
The InChIKey is LZYCXHUKVRTZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2O3/c20-15-11-3-1-2-4-13(11)22-16(19(15)25)14-17(23)10-6-5-9(8-21)7-12(10)18(14)24/h1-7,14,25H,8,21H2.
What are the key properties of 5-(aminomethyl)-2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione?
5-(aminomethyl)-2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione has a molecular weight of 397.23 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione is sourced from PubChem (CID 142297635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).