8-bromo-3-(1-methylpyrrolidin-2-yl)-1,2-dihydrobenzo[f]quinoline

C18H19BrN2 — CID 123979808

IUPAC8-bromo-3-(1-methylpyrrolidin-2-yl)-1,2-dihydrobenzo[f]quinoline
SMILESCN1CCCC1C1=Nc2ccc3cc(Br)ccc3c2CC1
InChIInChI=1S/C18H19BrN2/c1-21-10-2-3-18(21)17-9-7-15-14-6-5-13(19)11-12(14)4-8-16(15)20-17/h4-6,8,11,18H,2-3,7,9-10H2,1H3
InChIKeyCUVYLIBYFIZHCM-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.72
Rot. Bonds1

About 8-bromo-3-(1-methylpyrrolidin-2-yl)-1,2-dihydrobenzo[f]quinoline

8-bromo-3-(1-methylpyrrolidin-2-yl)-1,2-dihydrobenzo[f]quinoline (PubChem CID 123979808) has the molecular formula C18H19BrN2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 8-bromo-3-(1-methylpyrrolidin-2-yl)-1,2-dihydrobenzo[f]quinoline.

Molecular Properties

Compound Name8-bromo-3-(1-methylpyrrolidin-2-yl)-1,2-dihydrobenzo[f]quinoline
PubChem CID123979808
Molecular FormulaC18H19BrN2
Molecular Weight343.27 g/mol
Exact Mass342.07
IUPAC Name8-bromo-3-(1-methylpyrrolidin-2-yl)-1,2-dihydrobenzo[f]quinoline
SMILESCN1CCCC1C1=Nc2ccc3cc(Br)ccc3c2CC1
InChIInChI=1S/C18H19BrN2/c1-21-10-2-3-18(21)17-9-7-15-14-6-5-13(19)11-12(14)4-8-16(15)20-17/h4-6,8,11,18H,2-3,7,9-10H2,1H3
InChIKeyCUVYLIBYFIZHCM-UHFFFAOYSA-N
XLogP4.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 161801
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6-bromo-N-ethyl-N-(3-methylbut-2-enyl)-1-(trifluoromethyl)naphthalen-2-amine
CID 170567362
6-bromo-N,N-bis(3-methylbut-2-enyl)-1-(trifluoromethyl)naphthalen-2-amine
CID 175965256
(2E)-2-[(5-bromo-1-ethyl-3,3-dimethylindol-1-ium-2-yl)methylidene]-1-butylbenzo[cd]indole iodide
CID 139224263
4-(6-bromo-1-ethylbenzo[cd]indol-1-ium-2-yl)-N,N-diethylaniline
CID 111898
tert-butyl (2S)-2-(7-bromo-6-fluoro-1H-benzo[e]indol-2-yl)pyrrolidine-1-carboxylate
CID 161976931
1-Naphthalenecarbonitrile, 6-bromo-4-(1-pyrrolidinyl)-
CID 11602494
1-Naphthalenecarbonitrile, 7-bromo-4-(1-pyrrolidinyl)-
CID 11681597
5-Bromo-1-ethyl-2-methylbenzo[cd]indol-1-ium
CID 20747217
(2E)-7-bromo-2-[(2E)-2-[3-[(E)-2-(7-bromo-1,1-dimethyl-3-pentylbenzo[e]indol-3-ium-2-yl)ethenyl]-2-phenylcyclopent-2-en-1-ylidene]ethylidene]-1,1-dimethyl-3-pentylbenzo[e]indole
CID 58332495
7-Bromo-1,1,2-trimethyl-3-pentylbenzo[e]indol-3-ium
CID 58332550

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-(1-methylpyrrolidin-2-yl)-1,2-dihydrobenzo[f]quinoline?
The IUPAC name of 8-bromo-3-(1-methylpyrrolidin-2-yl)-1,2-dihydrobenzo[f]quinoline (CID 123979808) is 8-bromo-3-(1-methylpyrrolidin-2-yl)-1,2-dihydrobenzo[f]quinoline.
What is the SMILES notation for 8-bromo-3-(1-methylpyrrolidin-2-yl)-1,2-dihydrobenzo[f]quinoline?
The canonical SMILES for 8-bromo-3-(1-methylpyrrolidin-2-yl)-1,2-dihydrobenzo[f]quinoline is CN1CCCC1C1=Nc2ccc3cc(Br)ccc3c2CC1.
What is the InChIKey of 8-bromo-3-(1-methylpyrrolidin-2-yl)-1,2-dihydrobenzo[f]quinoline?
The InChIKey is CUVYLIBYFIZHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2/c1-21-10-2-3-18(21)17-9-7-15-14-6-5-13(19)11-12(14)4-8-16(15)20-17/h4-6,8,11,18H,2-3,7,9-10H2,1H3.
What are the key properties of 8-bromo-3-(1-methylpyrrolidin-2-yl)-1,2-dihydrobenzo[f]quinoline?
8-bromo-3-(1-methylpyrrolidin-2-yl)-1,2-dihydrobenzo[f]quinoline has a molecular weight of 343.27 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-(1-methylpyrrolidin-2-yl)-1,2-dihydrobenzo[f]quinoline is sourced from PubChem (CID 123979808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).