1-(6-bromoquinazolin-2-yl)-N-tert-butylpyrrolidine-3-carboxamide

C17H21BrN4O — CID 155800437

IUPAC1-(6-bromoquinazolin-2-yl)-N-tert-butylpyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(c2ncc3cc(Br)ccc3n2)C1
InChIInChI=1S/C17H21BrN4O/c1-17(2,3)21-15(23)11-6-7-22(10-11)16-19-9-12-8-13(18)4-5-14(12)20-16/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,21,23)
InChIKeyRYZKCLCJDFITKW-UHFFFAOYSA-N
MW377.29 g/mol
LogP3.13
Rot. Bonds2

About 1-(6-bromoquinazolin-2-yl)-N-tert-butylpyrrolidine-3-carboxamide

1-(6-bromoquinazolin-2-yl)-N-tert-butylpyrrolidine-3-carboxamide (PubChem CID 155800437) has the molecular formula C17H21BrN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is 1-(6-bromoquinazolin-2-yl)-N-tert-butylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-bromoquinazolin-2-yl)-N-tert-butylpyrrolidine-3-carboxamide
PubChem CID155800437
Molecular FormulaC17H21BrN4O
Molecular Weight377.29 g/mol
Exact Mass376.09
IUPAC Name1-(6-bromoquinazolin-2-yl)-N-tert-butylpyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(c2ncc3cc(Br)ccc3n2)C1
InChIInChI=1S/C17H21BrN4O/c1-17(2,3)21-15(23)11-6-7-22(10-11)16-19-9-12-8-13(18)4-5-14(12)20-16/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,21,23)
InChIKeyRYZKCLCJDFITKW-UHFFFAOYSA-N
XLogP3.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide
CID 171691467
6-bromo-2-piperidin-1-ylquinazoline
CID 165497693
1-(6-bromoquinazolin-2-yl)-N,N-dimethylpiperidin-4-amine
CID 172905670
N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172890921
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452556
N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide
CID 155800306
N-tert-butyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
CID 166600760
6-bromo-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinazoline
CID 171705386
N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172890918
N-tert-butyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxamide
CID 155799700
(3R)-1-(6-bromoquinolin-2-yl)-N-methylpiperidine-3-carboxamide
CID 95775268
6-bromo-2-[3-(triazol-2-yl)azetidin-1-yl]quinazoline
CID 165435723

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromoquinazolin-2-yl)-N-tert-butylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-bromoquinazolin-2-yl)-N-tert-butylpyrrolidine-3-carboxamide (CID 155800437) is 1-(6-bromoquinazolin-2-yl)-N-tert-butylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-bromoquinazolin-2-yl)-N-tert-butylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-bromoquinazolin-2-yl)-N-tert-butylpyrrolidine-3-carboxamide is CC(C)(C)NC(=O)C1CCN(c2ncc3cc(Br)ccc3n2)C1.
What is the InChIKey of 1-(6-bromoquinazolin-2-yl)-N-tert-butylpyrrolidine-3-carboxamide?
The InChIKey is RYZKCLCJDFITKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O/c1-17(2,3)21-15(23)11-6-7-22(10-11)16-19-9-12-8-13(18)4-5-14(12)20-16/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,21,23).
What are the key properties of 1-(6-bromoquinazolin-2-yl)-N-tert-butylpyrrolidine-3-carboxamide?
1-(6-bromoquinazolin-2-yl)-N-tert-butylpyrrolidine-3-carboxamide has a molecular weight of 377.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromoquinazolin-2-yl)-N-tert-butylpyrrolidine-3-carboxamide is sourced from PubChem (CID 155800437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).