1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide

C14H15ClN4O — CID 62477865

IUPAC1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nc(Cl)nc2ccccc12
InChIInChI=1S/C14H15ClN4O/c1-16-13(20)11-7-4-8-19(11)12-9-5-2-3-6-10(9)17-14(15)18-12/h2-3,5-6,11H,4,7-8H2,1H3,(H,16,20)
InChIKeyMTNSUOPXIIPYAU-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.00
Rot. Bonds2

About 1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide

1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 62477865) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide
PubChem CID62477865
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nc(Cl)nc2ccccc12
InChIInChI=1S/C14H15ClN4O/c1-16-13(20)11-7-4-8-19(11)12-9-5-2-3-6-10(9)17-14(15)18-12/h2-3,5-6,11H,4,7-8H2,1H3,(H,16,20)
InChIKeyMTNSUOPXIIPYAU-UHFFFAOYSA-N
XLogP2.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.00
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-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide (CID 62477865) is 1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1nc(Cl)nc2ccccc12.
What is the InChIKey of 1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is MTNSUOPXIIPYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-16-13(20)11-7-4-8-19(11)12-9-5-2-3-6-10(9)17-14(15)18-12/h2-3,5-6,11H,4,7-8H2,1H3,(H,16,20).
What are the key properties of 1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide?
1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 2.00, 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-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 62477865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).