3-[[7-methoxy-2-morpholin-4-yl-6-(3-morpholin-4-ylpropyl)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide

C30H39N7O5 — CID 71166521

IUPAC3-[[7-methoxy-2-morpholin-4-yl-6-(3-morpholin-4-ylpropyl)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide
SMILESCNC(=O)c1cc(C)cc(NC(=O)Nc2nc(N3CCOCC3)nc3cc(OC)c(CCCN4CCOCC4)cc23)c1
InChIInChI=1S/C30H39N7O5/c1-20-15-22(28(38)31-2)17-23(16-20)32-30(39)35-27-24-18-21(5-4-6-36-7-11-41-12-8-36)26(40-3)19-25(24)33-29(34-27)37-9-13-42-14-10-37/h15-19H,4-14H2,1-3H3,(H,31,38)(H2,32,33,34,35,39)
InChIKeyWDNNMDNWFCYMSZ-UHFFFAOYSA-N
MW577.69 g/mol
LogP3.05
Rot. Bonds9

About 3-[[7-methoxy-2-morpholin-4-yl-6-(3-morpholin-4-ylpropyl)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide

3-[[7-methoxy-2-morpholin-4-yl-6-(3-morpholin-4-ylpropyl)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide (PubChem CID 71166521) has the molecular formula C30H39N7O5 and a molecular weight of 577.69 g/mol. Its IUPAC name is 3-[[7-methoxy-2-morpholin-4-yl-6-(3-morpholin-4-ylpropyl)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide.

Molecular Properties

Compound Name3-[[7-methoxy-2-morpholin-4-yl-6-(3-morpholin-4-ylpropyl)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide
PubChem CID71166521
Molecular FormulaC30H39N7O5
Molecular Weight577.69 g/mol
Exact Mass577.30
IUPAC Name3-[[7-methoxy-2-morpholin-4-yl-6-(3-morpholin-4-ylpropyl)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide
SMILESCNC(=O)c1cc(C)cc(NC(=O)Nc2nc(N3CCOCC3)nc3cc(OC)c(CCCN4CCOCC4)cc23)c1
InChIInChI=1S/C30H39N7O5/c1-20-15-22(28(38)31-2)17-23(16-20)32-30(39)35-27-24-18-21(5-4-6-36-7-11-41-12-8-36)26(40-3)19-25(24)33-29(34-27)37-9-13-42-14-10-37/h15-19H,4-14H2,1-3H3,(H,31,38)(H2,32,33,34,35,39)
InChIKeyWDNNMDNWFCYMSZ-UHFFFAOYSA-N
XLogP3.05
TPSA130.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.69
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[[7-methoxy-2-morpholin-4-yl-6-(3-morpholin-4-ylpropyl)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide with MolForge

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Related Compounds

3-[[7-methoxy-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide
CID 11238572
3-chloro-5-[[7-methoxy-8-methyl-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N-methylbenzamide;ethane
CID 143341796
1-(4-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 11583059
1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 11711913
6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 165146470
6,7-dimethoxy-2-morpholin-4-yl-N-phenylquinazolin-4-amine
CID 71738609
2-[7-methoxy-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-1-(3-methylphenyl)guanidine
CID 11179960
4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide
CID 55742240
N-(6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-yl)acetamide
CID 616327
6-methoxy-2-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 72714452
[3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid
CID 121255435
4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707461

Frequently Asked Questions

What is the IUPAC name of 3-[[7-methoxy-2-morpholin-4-yl-6-(3-morpholin-4-ylpropyl)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide?
The IUPAC name of 3-[[7-methoxy-2-morpholin-4-yl-6-(3-morpholin-4-ylpropyl)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide (CID 71166521) is 3-[[7-methoxy-2-morpholin-4-yl-6-(3-morpholin-4-ylpropyl)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide.
What is the SMILES notation for 3-[[7-methoxy-2-morpholin-4-yl-6-(3-morpholin-4-ylpropyl)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide?
The canonical SMILES for 3-[[7-methoxy-2-morpholin-4-yl-6-(3-morpholin-4-ylpropyl)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide is CNC(=O)c1cc(C)cc(NC(=O)Nc2nc(N3CCOCC3)nc3cc(OC)c(CCCN4CCOCC4)cc23)c1.
What is the InChIKey of 3-[[7-methoxy-2-morpholin-4-yl-6-(3-morpholin-4-ylpropyl)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide?
The InChIKey is WDNNMDNWFCYMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N7O5/c1-20-15-22(28(38)31-2)17-23(16-20)32-30(39)35-27-24-18-21(5-4-6-36-7-11-41-12-8-36)26(40-3)19-25(24)33-29(34-27)37-9-13-42-14-10-37/h15-19H,4-14H2,1-3H3,(H,31,38)(H2,32,33,34,35,39).
What are the key properties of 3-[[7-methoxy-2-morpholin-4-yl-6-(3-morpholin-4-ylpropyl)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide?
3-[[7-methoxy-2-morpholin-4-yl-6-(3-morpholin-4-ylpropyl)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide has a molecular weight of 577.69 g/mol, XLogP of 3.05, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-methoxy-2-morpholin-4-yl-6-(3-morpholin-4-ylpropyl)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide is sourced from PubChem (CID 71166521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).