3-(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)piperidine-1-carboxylic acid

C16H16BrN5O2 — CID 170313062

IUPAC3-(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)piperidine-1-carboxylic acid
SMILESNc1nc2cc(Br)ccc2c2nc(C3CCCN(C(=O)O)C3)[nH]c12
InChIInChI=1S/C16H16BrN5O2/c17-9-3-4-10-11(6-9)19-14(18)13-12(10)20-15(21-13)8-2-1-5-22(7-8)16(23)24/h3-4,6,8H,1-2,5,7H2,(H2,18,19)(H,20,21)(H,23,24)
InChIKeyDGJCWWSSOHCFCM-UHFFFAOYSA-N
MW390.24 g/mol
LogP3.31
Rot. Bonds1

About 3-(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)piperidine-1-carboxylic acid

3-(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)piperidine-1-carboxylic acid (PubChem CID 170313062) has the molecular formula C16H16BrN5O2 and a molecular weight of 390.24 g/mol. Its IUPAC name is 3-(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)piperidine-1-carboxylic acid
PubChem CID170313062
Molecular FormulaC16H16BrN5O2
Molecular Weight390.24 g/mol
Exact Mass389.05
IUPAC Name3-(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)piperidine-1-carboxylic acid
SMILESNc1nc2cc(Br)ccc2c2nc(C3CCCN(C(=O)O)C3)[nH]c12
InChIInChI=1S/C16H16BrN5O2/c17-9-3-4-10-11(6-9)19-14(18)13-12(10)20-15(21-13)8-2-1-5-22(7-8)16(23)24/h3-4,6,8H,1-2,5,7H2,(H2,18,19)(H,20,21)(H,23,24)
InChIKeyDGJCWWSSOHCFCM-UHFFFAOYSA-N
XLogP3.31
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 169316740
[(3S)-3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 169316737
1-[(3S)-3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]piperidine-1-carbonyl]cyclopentane-1-carbonitrile
CID 169316689
1-[3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 170313063
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone
CID 55497026
7-bromo-2-cyclohexylquinoline-4-carboxylic acid
CID 43805508
3-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylic acid
CID 155391404
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
(7-bromo-2-methylquinolin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575462
7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;2,2,2-trifluoroacetic acid
CID 172723336
(6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 997940
2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 18428036

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)piperidine-1-carboxylic acid?
The IUPAC name of 3-(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)piperidine-1-carboxylic acid (CID 170313062) is 3-(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)piperidine-1-carboxylic acid is Nc1nc2cc(Br)ccc2c2nc(C3CCCN(C(=O)O)C3)[nH]c12.
What is the InChIKey of 3-(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)piperidine-1-carboxylic acid?
The InChIKey is DGJCWWSSOHCFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O2/c17-9-3-4-10-11(6-9)19-14(18)13-12(10)20-15(21-13)8-2-1-5-22(7-8)16(23)24/h3-4,6,8H,1-2,5,7H2,(H2,18,19)(H,20,21)(H,23,24).
What are the key properties of 3-(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)piperidine-1-carboxylic acid?
3-(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)piperidine-1-carboxylic acid has a molecular weight of 390.24 g/mol, XLogP of 3.31, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 170313062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).