(3Z)-6-bromo-3-(quinolin-6-ylmethylidene)chromen-4-one

C19H12BrNO2 — CID 55511502

IUPAC(3Z)-6-bromo-3-(quinolin-6-ylmethylidene)chromen-4-one
SMILESO=C1/C(=C\c2ccc3ncccc3c2)COc2ccc(Br)cc21
InChIInChI=1S/C19H12BrNO2/c20-15-4-6-18-16(10-15)19(22)14(11-23-18)9-12-3-5-17-13(8-12)2-1-7-21-17/h1-10H,11H2/b14-9-
InChIKeyLPTAECMQDWEABY-ZROIWOOFSA-N
MW366.21 g/mol
LogP4.66
Rot. Bonds1

About (3Z)-6-bromo-3-(quinolin-6-ylmethylidene)chromen-4-one

(3Z)-6-bromo-3-(quinolin-6-ylmethylidene)chromen-4-one (PubChem CID 55511502) has the molecular formula C19H12BrNO2 and a molecular weight of 366.21 g/mol. Its IUPAC name is (3Z)-6-bromo-3-(quinolin-6-ylmethylidene)chromen-4-one.

Molecular Properties

Compound Name(3Z)-6-bromo-3-(quinolin-6-ylmethylidene)chromen-4-one
PubChem CID55511502
Molecular FormulaC19H12BrNO2
Molecular Weight366.21 g/mol
Exact Mass365.01
IUPAC Name(3Z)-6-bromo-3-(quinolin-6-ylmethylidene)chromen-4-one
SMILESO=C1/C(=C\c2ccc3ncccc3c2)COc2ccc(Br)cc21
InChIInChI=1S/C19H12BrNO2/c20-15-4-6-18-16(10-15)19(22)14(11-23-18)9-12-3-5-17-13(8-12)2-1-7-21-17/h1-10H,11H2/b14-9-
InChIKeyLPTAECMQDWEABY-ZROIWOOFSA-N
XLogP4.66
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-6-bromo-3-[(3-hydroxyphenyl)methylidene]chromen-4-one
CID 18149932
3-[(4-bromophenyl)methylidene]chromen-4-one
CID 915612
(3E)-6-bromo-3-[(5-nitrothiophen-3-yl)methylidene]chromen-4-one
CID 55839115
(3E)-6-fluoro-3-(quinolin-6-ylmethylidene)thiochromen-4-one
CID 55353387
bis(6-bromoquinoline);hydrate
CID 174834691
(3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
CID 6449188
6-[(E)-2-quinolin-6-ylethenyl]quinoline
CID 23251154
(3E)-6-methoxy-3-(pyridin-2-ylmethylidene)chromen-4-one
CID 67592232
6-methoxy-3-(pyridin-2-ylmethylidene)chromen-4-one
CID 54513689
6-bromo-2-quinolin-6-yl-3H-isoindol-1-one
CID 59543385
(5E)-2-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 168510639
(3E)-3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one
CID 31762948

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-bromo-3-(quinolin-6-ylmethylidene)chromen-4-one?
The IUPAC name of (3Z)-6-bromo-3-(quinolin-6-ylmethylidene)chromen-4-one (CID 55511502) is (3Z)-6-bromo-3-(quinolin-6-ylmethylidene)chromen-4-one.
What is the SMILES notation for (3Z)-6-bromo-3-(quinolin-6-ylmethylidene)chromen-4-one?
The canonical SMILES for (3Z)-6-bromo-3-(quinolin-6-ylmethylidene)chromen-4-one is O=C1/C(=C\c2ccc3ncccc3c2)COc2ccc(Br)cc21.
What is the InChIKey of (3Z)-6-bromo-3-(quinolin-6-ylmethylidene)chromen-4-one?
The InChIKey is LPTAECMQDWEABY-ZROIWOOFSA-N. The full InChI is InChI=1S/C19H12BrNO2/c20-15-4-6-18-16(10-15)19(22)14(11-23-18)9-12-3-5-17-13(8-12)2-1-7-21-17/h1-10H,11H2/b14-9-.
What are the key properties of (3Z)-6-bromo-3-(quinolin-6-ylmethylidene)chromen-4-one?
(3Z)-6-bromo-3-(quinolin-6-ylmethylidene)chromen-4-one has a molecular weight of 366.21 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-bromo-3-(quinolin-6-ylmethylidene)chromen-4-one is sourced from PubChem (CID 55511502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).