N,N-dimethyl-4-(4-morpholin-4-ylquinazolin-6-yl)benzamide

C21H22N4O2 — CID 3232755

IUPACN,N-dimethyl-4-(4-morpholin-4-ylquinazolin-6-yl)benzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc3ncnc(N4CCOCC4)c3c2)cc1
InChIInChI=1S/C21H22N4O2/c1-24(2)21(26)16-5-3-15(4-6-16)17-7-8-19-18(13-17)20(23-14-22-19)25-9-11-27-12-10-25/h3-8,13-14H,9-12H2,1-2H3
InChIKeyOQQVVKFFIXMMMC-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.84
Rot. Bonds3

About N,N-dimethyl-4-(4-morpholin-4-ylquinazolin-6-yl)benzamide

N,N-dimethyl-4-(4-morpholin-4-ylquinazolin-6-yl)benzamide (PubChem CID 3232755) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-morpholin-4-ylquinazolin-6-yl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-morpholin-4-ylquinazolin-6-yl)benzamide
PubChem CID3232755
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN,N-dimethyl-4-(4-morpholin-4-ylquinazolin-6-yl)benzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc3ncnc(N4CCOCC4)c3c2)cc1
InChIInChI=1S/C21H22N4O2/c1-24(2)21(26)16-5-3-15(4-6-16)17-7-8-19-18(13-17)20(23-14-22-19)25-9-11-27-12-10-25/h3-8,13-14H,9-12H2,1-2H3
InChIKeyOQQVVKFFIXMMMC-UHFFFAOYSA-N
XLogP2.84
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-morpholin-4-ylquinazolin-6-yl)benzamide?
The IUPAC name of N,N-dimethyl-4-(4-morpholin-4-ylquinazolin-6-yl)benzamide (CID 3232755) is N,N-dimethyl-4-(4-morpholin-4-ylquinazolin-6-yl)benzamide.
What is the SMILES notation for N,N-dimethyl-4-(4-morpholin-4-ylquinazolin-6-yl)benzamide?
The canonical SMILES for N,N-dimethyl-4-(4-morpholin-4-ylquinazolin-6-yl)benzamide is CN(C)C(=O)c1ccc(-c2ccc3ncnc(N4CCOCC4)c3c2)cc1.
What is the InChIKey of N,N-dimethyl-4-(4-morpholin-4-ylquinazolin-6-yl)benzamide?
The InChIKey is OQQVVKFFIXMMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24(2)21(26)16-5-3-15(4-6-16)17-7-8-19-18(13-17)20(23-14-22-19)25-9-11-27-12-10-25/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(4-morpholin-4-ylquinazolin-6-yl)benzamide?
N,N-dimethyl-4-(4-morpholin-4-ylquinazolin-6-yl)benzamide has a molecular weight of 362.43 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-morpholin-4-ylquinazolin-6-yl)benzamide is sourced from PubChem (CID 3232755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).