4-amino-6-bromoquinoline-3-carboxylic acid;methoxycyclopentane

C16H19BrN2O3 — CID 145305834

IUPAC4-amino-6-bromoquinoline-3-carboxylic acid;methoxycyclopentane
SMILESCOC1CCCC1.Nc1c(C(=O)O)cnc2ccc(Br)cc12
InChIInChI=1S/C10H7BrN2O2.C6H12O/c11-5-1-2-8-6(3-5)9(12)7(4-13-8)10(14)15;1-7-6-4-2-3-5-6/h1-4H,(H2,12,13)(H,14,15);6H,2-5H2,1H3
InChIKeyYKZKJKNOTAMESY-UHFFFAOYSA-N
MW367.24 g/mol
LogP3.85
Rot. Bonds2

About 4-amino-6-bromoquinoline-3-carboxylic acid;methoxycyclopentane

4-amino-6-bromoquinoline-3-carboxylic acid;methoxycyclopentane (PubChem CID 145305834) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol. Its IUPAC name is 4-amino-6-bromoquinoline-3-carboxylic acid;methoxycyclopentane.

Molecular Properties

Compound Name4-amino-6-bromoquinoline-3-carboxylic acid;methoxycyclopentane
PubChem CID145305834
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC Name4-amino-6-bromoquinoline-3-carboxylic acid;methoxycyclopentane
SMILESCOC1CCCC1.Nc1c(C(=O)O)cnc2ccc(Br)cc12
InChIInChI=1S/C10H7BrN2O2.C6H12O/c11-5-1-2-8-6(3-5)9(12)7(4-13-8)10(14)15;1-7-6-4-2-3-5-6/h1-4H,(H2,12,13)(H,14,15);6H,2-5H2,1H3
InChIKeyYKZKJKNOTAMESY-UHFFFAOYSA-N
XLogP3.85
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-6-bromoquinoline-3-carboxylic acid
CID 46397798
4-amino-6-bromoquinoline-3-carboxylic acid;oxolane
CID 144956377
4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate
CID 73012700
6-bromo-4-(3-methoxypyrrolidin-1-yl)quinolin-3-amine
CID 103530492
ethyl 6-bromo-4-[(3-methoxycyclobutyl)amino]quinoline-3-carboxylate
CID 118500047
4-amino-6-phenoxyquinoline-3-carboxylic acid
CID 54588448
4-bromo-2-cyclopentyloxybenzoic acid
CID 60763632
4-amino-7-methoxyquinoline-3-carboxylic acid
CID 50877276
methoxycyclopentane;2-methylbenzene-1,3-dicarboxylic acid
CID 174894159
4-bromobenzene-1,2-diamine;methoxycyclohexane
CID 142331232
6-bromo-4-N-cyclopentylquinoline-3,4-diamine
CID 43621174
methyl 6-bromo-4-[(3-methoxycyclohexyl)amino]quinoline-2-carboxylate
CID 133399422

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-bromoquinoline-3-carboxylic acid;methoxycyclopentane?
The IUPAC name of 4-amino-6-bromoquinoline-3-carboxylic acid;methoxycyclopentane (CID 145305834) is 4-amino-6-bromoquinoline-3-carboxylic acid;methoxycyclopentane.
What is the SMILES notation for 4-amino-6-bromoquinoline-3-carboxylic acid;methoxycyclopentane?
The canonical SMILES for 4-amino-6-bromoquinoline-3-carboxylic acid;methoxycyclopentane is COC1CCCC1.Nc1c(C(=O)O)cnc2ccc(Br)cc12.
What is the InChIKey of 4-amino-6-bromoquinoline-3-carboxylic acid;methoxycyclopentane?
The InChIKey is YKZKJKNOTAMESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2.C6H12O/c11-5-1-2-8-6(3-5)9(12)7(4-13-8)10(14)15;1-7-6-4-2-3-5-6/h1-4H,(H2,12,13)(H,14,15);6H,2-5H2,1H3.
What are the key properties of 4-amino-6-bromoquinoline-3-carboxylic acid;methoxycyclopentane?
4-amino-6-bromoquinoline-3-carboxylic acid;methoxycyclopentane has a molecular weight of 367.24 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-bromoquinoline-3-carboxylic acid;methoxycyclopentane is sourced from PubChem (CID 145305834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).