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

C21H17N5O — CID 71583044

IUPACN-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C21H17N5O/c1-14(27)24-18-3-5-19(6-4-18)25-21-23-13-17-12-16(2-7-20(17)26-21)15-8-10-22-11-9-15/h2-13H,1H3,(H,24,27)(H,23,25,26)
InChIKeyQVFDWLFJHGRHCK-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.39
Rot. Bonds4

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

N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide (PubChem CID 71583044) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide
PubChem CID71583044
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC NameN-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C21H17N5O/c1-14(27)24-18-3-5-19(6-4-18)25-21-23-13-17-12-16(2-7-20(17)26-21)15-8-10-22-11-9-15/h2-13H,1H3,(H,24,27)(H,23,25,26)
InChIKeyQVFDWLFJHGRHCK-UHFFFAOYSA-N
XLogP4.39
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide (CID 71583044) is N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1.
What is the InChIKey of N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide?
The InChIKey is QVFDWLFJHGRHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-14(27)24-18-3-5-19(6-4-18)25-21-23-13-17-12-16(2-7-20(17)26-21)15-8-10-22-11-9-15/h2-13H,1H3,(H,24,27)(H,23,25,26).
What are the key properties of N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide?
N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide has a molecular weight of 355.40 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 71583044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).