7-bromo-1-phenylmethoxyisoquinoline

C16H12BrNO — CID 86710700

IUPAC7-bromo-1-phenylmethoxyisoquinoline
SMILESBrc1ccc2ccnc(OCc3ccccc3)c2c1
InChIInChI=1S/C16H12BrNO/c17-14-7-6-13-8-9-18-16(15(13)10-14)19-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyWZVUPOQMVAEKQF-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.58
Rot. Bonds3

About 7-bromo-1-phenylmethoxyisoquinoline

7-bromo-1-phenylmethoxyisoquinoline (PubChem CID 86710700) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 7-bromo-1-phenylmethoxyisoquinoline.

Molecular Properties

Compound Name7-bromo-1-phenylmethoxyisoquinoline
PubChem CID86710700
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name7-bromo-1-phenylmethoxyisoquinoline
SMILESBrc1ccc2ccnc(OCc3ccccc3)c2c1
InChIInChI=1S/C16H12BrNO/c17-14-7-6-13-8-9-18-16(15(13)10-14)19-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyWZVUPOQMVAEKQF-UHFFFAOYSA-N
XLogP4.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-3-chloro-1-phenylmethoxyisoquinoline
CID 86677086
7-bromo-1-methoxyisoquinoline
CID 67491611
2-bromo-6-phenylmethoxynaphthalene
CID 640595
[2-[(3-bromophenyl)methoxy]-4-methyl-3-pyridinyl]methanamine
CID 82827715
N-methyl-1-(pyridin-3-ylmethoxy)isoquinolin-7-amine
CID 82572547
6-bromo-8-methoxy-4-phenylmethoxyquinoline
CID 178032922
3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine
CID 163203487
5-(7-chloro-1-phenylmethoxyisoquinolin-6-yl)oxycyclooctan-1-amine
CID 59224833
3-iodo-2,4-bis(phenylmethoxy)pyridine
CID 166168867
3-bromo-6-iodo-2-phenylmethoxypyridine
CID 90076323
5-bromo-6-phenylmethoxypyridine-2,4-diamine
CID 25094363
1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone
CID 158421161

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-phenylmethoxyisoquinoline?
The IUPAC name of 7-bromo-1-phenylmethoxyisoquinoline (CID 86710700) is 7-bromo-1-phenylmethoxyisoquinoline.
What is the SMILES notation for 7-bromo-1-phenylmethoxyisoquinoline?
The canonical SMILES for 7-bromo-1-phenylmethoxyisoquinoline is Brc1ccc2ccnc(OCc3ccccc3)c2c1.
What is the InChIKey of 7-bromo-1-phenylmethoxyisoquinoline?
The InChIKey is WZVUPOQMVAEKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c17-14-7-6-13-8-9-18-16(15(13)10-14)19-11-12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 7-bromo-1-phenylmethoxyisoquinoline?
7-bromo-1-phenylmethoxyisoquinoline has a molecular weight of 314.18 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-phenylmethoxyisoquinoline is sourced from PubChem (CID 86710700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).