3-methyl-N-(4-quinazolin-4-yloxyphenyl)benzamide

C22H17N3O2 — CID 24661832

IUPAC3-methyl-N-(4-quinazolin-4-yloxyphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2ccc(Oc3ncnc4ccccc34)cc2)c1
InChIInChI=1S/C22H17N3O2/c1-15-5-4-6-16(13-15)21(26)25-17-9-11-18(12-10-17)27-22-19-7-2-3-8-20(19)23-14-24-22/h2-14H,1H3,(H,25,26)
InChIKeyXELOTWYXDNSIOK-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.98
Rot. Bonds4

About 3-methyl-N-(4-quinazolin-4-yloxyphenyl)benzamide

3-methyl-N-(4-quinazolin-4-yloxyphenyl)benzamide (PubChem CID 24661832) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-methyl-N-(4-quinazolin-4-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(4-quinazolin-4-yloxyphenyl)benzamide
PubChem CID24661832
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name3-methyl-N-(4-quinazolin-4-yloxyphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2ccc(Oc3ncnc4ccccc34)cc2)c1
InChIInChI=1S/C22H17N3O2/c1-15-5-4-6-16(13-15)21(26)25-17-9-11-18(12-10-17)27-22-19-7-2-3-8-20(19)23-14-24-22/h2-14H,1H3,(H,25,26)
InChIKeyXELOTWYXDNSIOK-UHFFFAOYSA-N
XLogP4.98
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzamide
CID 9110957
3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide
CID 24658495
3-(7-chloroquinazolin-4-yl)oxy-N-phenylbenzamide
CID 86870711
ethyl N-(3-quinazolin-4-yloxyphenyl)carbamate
CID 31538412
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097596
1-(3-methylphenyl)-3-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]urea
CID 52941625
3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949751
CID 87724838
CID 87724838
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-quinazolin-4-yloxyphenyl)benzamide?
The IUPAC name of 3-methyl-N-(4-quinazolin-4-yloxyphenyl)benzamide (CID 24661832) is 3-methyl-N-(4-quinazolin-4-yloxyphenyl)benzamide.
What is the SMILES notation for 3-methyl-N-(4-quinazolin-4-yloxyphenyl)benzamide?
The canonical SMILES for 3-methyl-N-(4-quinazolin-4-yloxyphenyl)benzamide is Cc1cccc(C(=O)Nc2ccc(Oc3ncnc4ccccc34)cc2)c1.
What is the InChIKey of 3-methyl-N-(4-quinazolin-4-yloxyphenyl)benzamide?
The InChIKey is XELOTWYXDNSIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-15-5-4-6-16(13-15)21(26)25-17-9-11-18(12-10-17)27-22-19-7-2-3-8-20(19)23-14-24-22/h2-14H,1H3,(H,25,26).
What are the key properties of 3-methyl-N-(4-quinazolin-4-yloxyphenyl)benzamide?
3-methyl-N-(4-quinazolin-4-yloxyphenyl)benzamide has a molecular weight of 355.40 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-quinazolin-4-yloxyphenyl)benzamide is sourced from PubChem (CID 24661832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).