3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide

C23H21N5O — CID 137469993

IUPAC3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide
SMILESCN(CCC(=O)Nc1ccccc1)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C23H21N5O/c1-28(15-13-21(29)25-18-9-3-2-4-10-18)23-19-11-5-6-12-20(19)26-22(27-23)17-8-7-14-24-16-17/h2-12,14,16H,13,15H2,1H3,(H,25,29)
InChIKeyPENVNTKUIFEIJG-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.16
Rot. Bonds6

About 3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide

3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide (PubChem CID 137469993) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide
PubChem CID137469993
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide
SMILESCN(CCC(=O)Nc1ccccc1)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C23H21N5O/c1-28(15-13-21(29)25-18-9-3-2-4-10-18)23-19-11-5-6-12-20(19)26-22(27-23)17-8-7-14-24-16-17/h2-12,14,16H,13,15H2,1H3,(H,25,29)
InChIKeyPENVNTKUIFEIJG-UHFFFAOYSA-N
XLogP4.16
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide?
The IUPAC name of 3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide (CID 137469993) is 3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide.
What is the SMILES notation for 3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide?
The canonical SMILES for 3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide is CN(CCC(=O)Nc1ccccc1)c1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of 3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide?
The InChIKey is PENVNTKUIFEIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-28(15-13-21(29)25-18-9-3-2-4-10-18)23-19-11-5-6-12-20(19)26-22(27-23)17-8-7-14-24-16-17/h2-12,14,16H,13,15H2,1H3,(H,25,29).
What are the key properties of 3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide?
3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide has a molecular weight of 383.46 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide is sourced from PubChem (CID 137469993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).