7-bromo-5-chloro-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one

C10H7BrClNO — CID 169499469

IUPAC7-bromo-5-chloro-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one
SMILESO=C1Nc2cc(Cl)cc(Br)c2C2CC12
InChIInChI=1S/C10H7BrClNO/c11-7-1-4(12)2-8-9(7)5-3-6(5)10(14)13-8/h1-2,5-6H,3H2,(H,13,14)
InChIKeyQKLZUCCLSZBEDC-UHFFFAOYSA-N
MW272.53 g/mol
LogP3.16
Rot. Bonds

About 7-bromo-5-chloro-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one

7-bromo-5-chloro-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one (PubChem CID 169499469) has the molecular formula C10H7BrClNO and a molecular weight of 272.53 g/mol. Its IUPAC name is 7-bromo-5-chloro-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one.

Molecular Properties

Compound Name7-bromo-5-chloro-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one
PubChem CID169499469
Molecular FormulaC10H7BrClNO
Molecular Weight272.53 g/mol
Exact Mass270.94
IUPAC Name7-bromo-5-chloro-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one
SMILESO=C1Nc2cc(Cl)cc(Br)c2C2CC12
InChIInChI=1S/C10H7BrClNO/c11-7-1-4(12)2-8-9(7)5-3-6(5)10(14)13-8/h1-2,5-6H,3H2,(H,13,14)
InChIKeyQKLZUCCLSZBEDC-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one?
The IUPAC name of 7-bromo-5-chloro-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one (CID 169499469) is 7-bromo-5-chloro-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one.
What is the SMILES notation for 7-bromo-5-chloro-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one?
The canonical SMILES for 7-bromo-5-chloro-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one is O=C1Nc2cc(Cl)cc(Br)c2C2CC12.
What is the InChIKey of 7-bromo-5-chloro-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one?
The InChIKey is QKLZUCCLSZBEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO/c11-7-1-4(12)2-8-9(7)5-3-6(5)10(14)13-8/h1-2,5-6H,3H2,(H,13,14).
What are the key properties of 7-bromo-5-chloro-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one?
7-bromo-5-chloro-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one has a molecular weight of 272.53 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one is sourced from PubChem (CID 169499469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).