3-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylic acid

C14H15BrN4O2 — CID 155391404

IUPAC3-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(Nc2ncc3cc(Br)ccc3n2)C1
InChIInChI=1S/C14H15BrN4O2/c15-10-3-4-12-9(6-10)7-16-13(18-12)17-11-2-1-5-19(8-11)14(20)21/h3-4,6-7,11H,1-2,5,8H2,(H,20,21)(H,16,17,18)
InChIKeySUKIWSDISLKDEW-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.95
Rot. Bonds2

About 3-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylic acid

3-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylic acid (PubChem CID 155391404) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 3-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylic acid
PubChem CID155391404
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name3-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(Nc2ncc3cc(Br)ccc3n2)C1
InChIInChI=1S/C14H15BrN4O2/c15-10-3-4-12-9(6-10)7-16-13(18-12)17-11-2-1-5-19(8-11)14(20)21/h3-4,6-7,11H,1-2,5,8H2,(H,20,21)(H,16,17,18)
InChIKeySUKIWSDISLKDEW-UHFFFAOYSA-N
XLogP2.95
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-cyclopentylquinazolin-2-amine
CID 118048975
3-[[6-(4-amino-2,3-difluorophenyl)quinazolin-2-yl]amino]piperidine-1-carboxylic acid
CID 155391698
(3S)-3-[[6-(4-amino-2,3-difluorophenyl)quinazolin-2-yl]amino]piperidine-1-carboxylic acid
CID 155391697
3-[[6-[5-(benzylsulfonylamino)-2-fluorophenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid
CID 175220828
3-[[4-(3-chloropyridazin-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 175135859
3-[(5-bromo-1,3-benzoxazol-2-yl)amino]pyrrolidine-1-carboxylic acid
CID 174193660
(3S)-3-(4-bromoanilino)pyrrolidine-1-carboxylic acid
CID 170189829
3-[[5-bromo-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
CID 57477117
3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylic acid
CID 89443577
N-[4-[(3R)-3-(quinazolin-2-ylamino)piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 147721568
(3R)-3-[[7-bromo-4-(2-methoxy-4-methylphenyl)phthalazin-1-yl]amino]piperidine-1-carboxylic acid
CID 175368317
(3R)-3-[[6-(2-methylphenyl)-7-oxo-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 68739676

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 3-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylic acid (CID 155391404) is 3-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylic acid is O=C(O)N1CCCC(Nc2ncc3cc(Br)ccc3n2)C1.
What is the InChIKey of 3-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylic acid?
The InChIKey is SUKIWSDISLKDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c15-10-3-4-12-9(6-10)7-16-13(18-12)17-11-2-1-5-19(8-11)14(20)21/h3-4,6-7,11H,1-2,5,8H2,(H,20,21)(H,16,17,18).
What are the key properties of 3-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylic acid?
3-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylic acid has a molecular weight of 351.20 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 155391404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).