1-(2-chloroquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide

C15H17ClN4O — CID 106321073

IUPAC1-(2-chloroquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nc(Cl)nc3ccccc23)C1
InChIInChI=1S/C15H17ClN4O/c1-15(13(21)17-2)7-8-20(9-15)12-10-5-3-4-6-11(10)18-14(16)19-12/h3-6H,7-9H2,1-2H3,(H,17,21)
InChIKeyHAYKXMGINVEJEI-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.25
Rot. Bonds2

About 1-(2-chloroquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(2-chloroquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106321073) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(2-chloroquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chloroquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106321073
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name1-(2-chloroquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nc(Cl)nc3ccccc23)C1
InChIInChI=1S/C15H17ClN4O/c1-15(13(21)17-2)7-8-20(9-15)12-10-5-3-4-6-11(10)18-14(16)19-12/h3-6H,7-9H2,1-2H3,(H,17,21)
InChIKeyHAYKXMGINVEJEI-UHFFFAOYSA-N
XLogP2.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chloroquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106321073) is 1-(2-chloroquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chloroquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chloroquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2nc(Cl)nc3ccccc23)C1.
What is the InChIKey of 1-(2-chloroquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is HAYKXMGINVEJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-15(13(21)17-2)7-8-20(9-15)12-10-5-3-4-6-11(10)18-14(16)19-12/h3-6H,7-9H2,1-2H3,(H,17,21).
What are the key properties of 1-(2-chloroquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(2-chloroquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106321073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).