N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide

C22H19N5O — CID 24891647

IUPACN-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C22H19N5O/c1-15(28)27(2)20-6-4-19(5-7-20)25-22-24-14-18-13-17(3-8-21(18)26-22)16-9-11-23-12-10-16/h3-14H,1-2H3,(H,24,25,26)
InChIKeyFDZFHPSXTIIWQD-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.42
Rot. Bonds4

About N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide

N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide (PubChem CID 24891647) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide
PubChem CID24891647
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC NameN-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C22H19N5O/c1-15(28)27(2)20-6-4-19(5-7-20)25-22-24-14-18-13-17(3-8-21(18)26-22)16-9-11-23-12-10-16/h3-14H,1-2H3,(H,24,25,26)
InChIKeyFDZFHPSXTIIWQD-UHFFFAOYSA-N
XLogP4.42
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide (CID 24891647) is N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide is CC(=O)N(C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1.
What is the InChIKey of N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide?
The InChIKey is FDZFHPSXTIIWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-15(28)27(2)20-6-4-19(5-7-20)25-22-24-14-18-13-17(3-8-21(18)26-22)16-9-11-23-12-10-16/h3-14H,1-2H3,(H,24,25,26).
What are the key properties of N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide?
N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide has a molecular weight of 369.43 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 24891647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).