3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N,N-dimethylbenzamide

C23H26N4O4 — CID 118733925

IUPAC3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N,N-dimethylbenzamide
SMILESCOc1cc2nc(-c3cccc(C(=O)N(C)C)c3)nc(N3CCOCC3)c2cc1OC
InChIInChI=1S/C23H26N4O4/c1-26(2)23(28)16-7-5-6-15(12-16)21-24-18-14-20(30-4)19(29-3)13-17(18)22(25-21)27-8-10-31-11-9-27/h5-7,12-14H,8-11H2,1-4H3
InChIKeyZBQYLLPVKDIKDW-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.85
Rot. Bonds5

About 3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N,N-dimethylbenzamide

3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N,N-dimethylbenzamide (PubChem CID 118733925) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N,N-dimethylbenzamide
PubChem CID118733925
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N,N-dimethylbenzamide
SMILESCOc1cc2nc(-c3cccc(C(=O)N(C)C)c3)nc(N3CCOCC3)c2cc1OC
InChIInChI=1S/C23H26N4O4/c1-26(2)23(28)16-7-5-6-15(12-16)21-24-18-14-20(30-4)19(29-3)13-17(18)22(25-21)27-8-10-31-11-9-27/h5-7,12-14H,8-11H2,1-4H3
InChIKeyZBQYLLPVKDIKDW-UHFFFAOYSA-N
XLogP2.85
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-morpholin-4-yl-2-phenylquinazolin-6-ol
CID 3100191
4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707461
4-[[4-[7-(furan-3-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 67515033
3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide
CID 11214463
N,N-dimethyl-4-[[4-[7-(2-methyl-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]benzamide
CID 67515760
4-[[4-(6-fluoro-4-morpholin-4-yl-7-pyrimidin-5-ylquinazolin-2-yl)phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 57335900
[4-(6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 171988085
N,N-dimethyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl)benzamide
CID 126473291
6,7-dimethoxy-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline
CID 22997425
4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine
CID 139592902
4-[[2-fluoro-4-(4-morpholin-4-yl-7-pyridin-3-ylquinazolin-2-yl)phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 67515681
6-ethoxy-7-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline
CID 73355398

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N,N-dimethylbenzamide?
The IUPAC name of 3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N,N-dimethylbenzamide (CID 118733925) is 3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N,N-dimethylbenzamide is COc1cc2nc(-c3cccc(C(=O)N(C)C)c3)nc(N3CCOCC3)c2cc1OC.
What is the InChIKey of 3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N,N-dimethylbenzamide?
The InChIKey is ZBQYLLPVKDIKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-26(2)23(28)16-7-5-6-15(12-16)21-24-18-14-20(30-4)19(29-3)13-17(18)22(25-21)27-8-10-31-11-9-27/h5-7,12-14H,8-11H2,1-4H3.
What are the key properties of 3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N,N-dimethylbenzamide?
3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N,N-dimethylbenzamide has a molecular weight of 422.49 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 118733925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).