(3R)-1-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]pyrrolidin-2-one

C19H19N5O — CID 95632438

IUPAC(3R)-1-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]pyrrolidin-2-one
SMILESCN1CC[C@@H](N(C)c2nc(-c3ccncc3)nc3ccccc23)C1=O
InChIInChI=1S/C19H19N5O/c1-23-12-9-16(19(23)25)24(2)18-14-5-3-4-6-15(14)21-17(22-18)13-7-10-20-11-8-13/h3-8,10-11,16H,9,12H2,1-2H3/t16-/m1/s1
InChIKeyZLTWUFJPTLCNSR-MRXNPFEDSA-N
MW333.40 g/mol
LogP2.36
Rot. Bonds3

About (3R)-1-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]pyrrolidin-2-one

(3R)-1-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]pyrrolidin-2-one (PubChem CID 95632438) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is (3R)-1-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]pyrrolidin-2-one
PubChem CID95632438
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name(3R)-1-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]pyrrolidin-2-one
SMILESCN1CC[C@@H](N(C)c2nc(-c3ccncc3)nc3ccccc23)C1=O
InChIInChI=1S/C19H19N5O/c1-23-12-9-16(19(23)25)24(2)18-14-5-3-4-6-15(14)21-17(22-18)13-7-10-20-11-8-13/h3-8,10-11,16H,9,12H2,1-2H3/t16-/m1/s1
InChIKeyZLTWUFJPTLCNSR-MRXNPFEDSA-N
XLogP2.36
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of (3R)-1-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]pyrrolidin-2-one (CID 95632438) is (3R)-1-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]pyrrolidin-2-one is CN1CC[C@@H](N(C)c2nc(-c3ccncc3)nc3ccccc23)C1=O.
What is the InChIKey of (3R)-1-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is ZLTWUFJPTLCNSR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19N5O/c1-23-12-9-16(19(23)25)24(2)18-14-5-3-4-6-15(14)21-17(22-18)13-7-10-20-11-8-13/h3-8,10-11,16H,9,12H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-1-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]pyrrolidin-2-one?
(3R)-1-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 333.40 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 95632438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).