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

C10H7BrN2O2 — CID 46397798

IUPAC4-amino-6-bromoquinoline-3-carboxylic acid
SMILESNc1c(C(=O)O)cnc2ccc(Br)cc12
InChIInChI=1S/C10H7BrN2O2/c11-5-1-2-8-6(3-5)9(12)7(4-13-8)10(14)15/h1-4H,(H2,12,13)(H,14,15)
InChIKeyNNUIEFZTKCWYTA-UHFFFAOYSA-N
MW267.08 g/mol
LogP2.28
Rot. Bonds1

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

4-amino-6-bromoquinoline-3-carboxylic acid (PubChem CID 46397798) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is 4-amino-6-bromoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-bromoquinoline-3-carboxylic acid
PubChem CID46397798
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name4-amino-6-bromoquinoline-3-carboxylic acid
SMILESNc1c(C(=O)O)cnc2ccc(Br)cc12
InChIInChI=1S/C10H7BrN2O2/c11-5-1-2-8-6(3-5)9(12)7(4-13-8)10(14)15/h1-4H,(H2,12,13)(H,14,15)
InChIKeyNNUIEFZTKCWYTA-UHFFFAOYSA-N
XLogP2.28
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-6-bromoquinoline-3-carboxylic acid;oxolane
CID 144956377
4-amino-6-bromoquinoline-3-carboxylic acid;methoxycyclopentane
CID 145305834
4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate
CID 73012700
4-amino-6-phenoxyquinoline-3-carboxylic acid
CID 54588448
4-amino-6-bromoquinoline-3-carbaldehyde
CID 144846091
6-bromo-4-(morpholin-4-ylamino)quinoline-3-carboxylic acid
CID 166645341
5-amino-3-prop-2-enylquinoline-6-carboxylic acid
CID 67934082
4-amino-7-methoxyquinoline-3-carboxylic acid
CID 50877276
bis(2-amino-5-bromobenzoic acid);nickel
CID 4112549
bis(2-amino-5-bromobenzoic acid);cobalt
CID 5074264
4-amino-7-ethoxyquinoline-3-carboxylic acid
CID 66487246
CID 144689894
CID 144689894

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-bromoquinoline-3-carboxylic acid?
The IUPAC name of 4-amino-6-bromoquinoline-3-carboxylic acid (CID 46397798) is 4-amino-6-bromoquinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-6-bromoquinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-6-bromoquinoline-3-carboxylic acid is Nc1c(C(=O)O)cnc2ccc(Br)cc12.
What is the InChIKey of 4-amino-6-bromoquinoline-3-carboxylic acid?
The InChIKey is NNUIEFZTKCWYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c11-5-1-2-8-6(3-5)9(12)7(4-13-8)10(14)15/h1-4H,(H2,12,13)(H,14,15).
What are the key properties of 4-amino-6-bromoquinoline-3-carboxylic acid?
4-amino-6-bromoquinoline-3-carboxylic acid has a molecular weight of 267.08 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-bromoquinoline-3-carboxylic acid is sourced from PubChem (CID 46397798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).