N-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide

C19H20N4O — CID 11638343

IUPACN-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(N(C)c2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C19H20N4O/c1-13-20-18-8-6-5-7-17(18)19(21-13)23(4)16-11-9-15(10-12-16)22(3)14(2)24/h5-12H,1-4H3
InChIKeyPLHPQOGOVOPALO-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.69
Rot. Bonds3

About N-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide

N-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide (PubChem CID 11638343) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide
PubChem CID11638343
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(N(C)c2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C19H20N4O/c1-13-20-18-8-6-5-7-17(18)19(21-13)23(4)16-11-9-15(10-12-16)22(3)14(2)24/h5-12H,1-4H3
InChIKeyPLHPQOGOVOPALO-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide (CID 11638343) is N-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide is CC(=O)N(C)c1ccc(N(C)c2nc(C)nc3ccccc23)cc1.
What is the InChIKey of N-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide?
The InChIKey is PLHPQOGOVOPALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-20-18-8-6-5-7-17(18)19(21-13)23(4)16-11-9-15(10-12-16)22(3)14(2)24/h5-12H,1-4H3.
What are the key properties of N-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide?
N-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide has a molecular weight of 320.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 11638343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).