7-bromo-2-chloro-4-methoxyquinoline

C10H7BrClNO — CID 86036464

IUPAC7-bromo-2-chloro-4-methoxyquinoline
SMILESCOc1cc(Cl)nc2cc(Br)ccc12
InChIInChI=1S/C10H7BrClNO/c1-14-9-5-10(12)13-8-4-6(11)2-3-7(8)9/h2-5H,1H3
InChIKeyZWBADTSYJJWDME-UHFFFAOYSA-N
MW272.53 g/mol
LogP3.66
Rot. Bonds1

About 7-bromo-2-chloro-4-methoxyquinoline

7-bromo-2-chloro-4-methoxyquinoline (PubChem CID 86036464) has the molecular formula C10H7BrClNO and a molecular weight of 272.53 g/mol. Its IUPAC name is 7-bromo-2-chloro-4-methoxyquinoline.

Molecular Properties

Compound Name7-bromo-2-chloro-4-methoxyquinoline
PubChem CID86036464
Molecular FormulaC10H7BrClNO
Molecular Weight272.53 g/mol
Exact Mass270.94
IUPAC Name7-bromo-2-chloro-4-methoxyquinoline
SMILESCOc1cc(Cl)nc2cc(Br)ccc12
InChIInChI=1S/C10H7BrClNO/c1-14-9-5-10(12)13-8-4-6(11)2-3-7(8)9/h2-5H,1H3
InChIKeyZWBADTSYJJWDME-UHFFFAOYSA-N
XLogP3.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-bromo-4-methoxy-2-methylquinoline
CID 82581190
7-bromo-2-chloro-4-methylquinoline
CID 14570303
2-chloro-7-fluoro-5-methoxyquinoline
CID 154577051
7-bromo-2,4-dichloro-6-methoxyquinoline
CID 171506609
7-bromo-4-chloro-2-(3-fluoro-4-methoxyphenyl)quinazoline
CID 114590509
5-bromo-2-chloro-6-methoxyquinoline
CID 22139688
7-chloro-4-methoxy-2-methylquinoline
CID 82581159
2,7-dibromo-11,12-dimethoxyphenanthro[9,10-b]quinoxaline
CID 101448354
7-bromo-2-methoxy-4-methylquinoline
CID 14570305
7-bromo-4-chloro-2-methylquinoline
CID 17040020
6-bromo-2-chloro-4-methylquinoline;ethane
CID 153393887
5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole
CID 169336974

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloro-4-methoxyquinoline?
The IUPAC name of 7-bromo-2-chloro-4-methoxyquinoline (CID 86036464) is 7-bromo-2-chloro-4-methoxyquinoline.
What is the SMILES notation for 7-bromo-2-chloro-4-methoxyquinoline?
The canonical SMILES for 7-bromo-2-chloro-4-methoxyquinoline is COc1cc(Cl)nc2cc(Br)ccc12.
What is the InChIKey of 7-bromo-2-chloro-4-methoxyquinoline?
The InChIKey is ZWBADTSYJJWDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO/c1-14-9-5-10(12)13-8-4-6(11)2-3-7(8)9/h2-5H,1H3.
What are the key properties of 7-bromo-2-chloro-4-methoxyquinoline?
7-bromo-2-chloro-4-methoxyquinoline has a molecular weight of 272.53 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-chloro-4-methoxyquinoline is sourced from PubChem (CID 86036464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).