N-[4-[2-acetamido-4-(3-methylanilino)quinazolin-6-yl]phenyl]acetamide

C25H23N5O2 — CID 91022001

IUPACN-[4-[2-acetamido-4-(3-methylanilino)quinazolin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3nc(NC(C)=O)nc(Nc4cccc(C)c4)c3c2)cc1
InChIInChI=1S/C25H23N5O2/c1-15-5-4-6-21(13-15)28-24-22-14-19(18-7-10-20(11-8-18)26-16(2)31)9-12-23(22)29-25(30-24)27-17(3)32/h4-14H,1-3H3,(H,26,31)(H2,27,28,29,30,32)
InChIKeyPXFMKQJBXOFZSO-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.27
Rot. Bonds5

About N-[4-[2-acetamido-4-(3-methylanilino)quinazolin-6-yl]phenyl]acetamide

N-[4-[2-acetamido-4-(3-methylanilino)quinazolin-6-yl]phenyl]acetamide (PubChem CID 91022001) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[4-[2-acetamido-4-(3-methylanilino)quinazolin-6-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-acetamido-4-(3-methylanilino)quinazolin-6-yl]phenyl]acetamide
PubChem CID91022001
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-[4-[2-acetamido-4-(3-methylanilino)quinazolin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3nc(NC(C)=O)nc(Nc4cccc(C)c4)c3c2)cc1
InChIInChI=1S/C25H23N5O2/c1-15-5-4-6-21(13-15)28-24-22-14-19(18-7-10-20(11-8-18)26-16(2)31)9-12-23(22)29-25(30-24)27-17(3)32/h4-14H,1-3H3,(H,26,31)(H2,27,28,29,30,32)
InChIKeyPXFMKQJBXOFZSO-UHFFFAOYSA-N
XLogP5.27
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-acetamido-4-(cyclopropylamino)quinazolin-6-yl]phenyl]acetamide
CID 69014977
N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide
CID 71690531
N-(4-anilinoquinazolin-2-yl)acetamide
CID 69107194
N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 138729673
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
N-[4-(3-methylphenyl)phenyl]acetamide;propane
CID 142236943
N-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112877053
N-(3-methylphenyl)acetamide
CID 10843
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
methyl 3-[[4-(4-methylanilino)quinazolin-2-yl]amino]benzoate
CID 71690613
N-phenylacetamide;toluene
CID 175205531
1-[4-(dipropylamino)-6-(3-methylanilino)quinazolin-2-yl]-3-phenylurea
CID 70989404

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-acetamido-4-(3-methylanilino)quinazolin-6-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-acetamido-4-(3-methylanilino)quinazolin-6-yl]phenyl]acetamide (CID 91022001) is N-[4-[2-acetamido-4-(3-methylanilino)quinazolin-6-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-acetamido-4-(3-methylanilino)quinazolin-6-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-acetamido-4-(3-methylanilino)quinazolin-6-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccc3nc(NC(C)=O)nc(Nc4cccc(C)c4)c3c2)cc1.
What is the InChIKey of N-[4-[2-acetamido-4-(3-methylanilino)quinazolin-6-yl]phenyl]acetamide?
The InChIKey is PXFMKQJBXOFZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-15-5-4-6-21(13-15)28-24-22-14-19(18-7-10-20(11-8-18)26-16(2)31)9-12-23(22)29-25(30-24)27-17(3)32/h4-14H,1-3H3,(H,26,31)(H2,27,28,29,30,32).
What are the key properties of N-[4-[2-acetamido-4-(3-methylanilino)quinazolin-6-yl]phenyl]acetamide?
N-[4-[2-acetamido-4-(3-methylanilino)quinazolin-6-yl]phenyl]acetamide has a molecular weight of 425.49 g/mol, XLogP of 5.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-acetamido-4-(3-methylanilino)quinazolin-6-yl]phenyl]acetamide is sourced from PubChem (CID 91022001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).