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

C29H37N7O6 — CID 11238572

IUPAC3-[[7-methoxy-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide
SMILESCNC(=O)c1cc(C)cc(NC(=O)Nc2nc(N3CCOCC3)nc3cc(OC)c(OCCN4CCOCC4)cc23)c1
InChIInChI=1S/C29H37N7O6/c1-19-14-20(27(37)30-2)16-21(15-19)31-29(38)34-26-22-17-25(42-13-6-35-4-9-40-10-5-35)24(39-3)18-23(22)32-28(33-26)36-7-11-41-12-8-36/h14-18H,4-13H2,1-3H3,(H,30,37)(H2,31,32,33,34,38)
InChIKeyLCMBBLIXJPWTRG-UHFFFAOYSA-N
MW579.66 g/mol
LogP2.50
Rot. Bonds9

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

3-[[7-methoxy-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide (PubChem CID 11238572) has the molecular formula C29H37N7O6 and a molecular weight of 579.66 g/mol. Its IUPAC name is 3-[[7-methoxy-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide.

Molecular Properties

Compound Name3-[[7-methoxy-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide
PubChem CID11238572
Molecular FormulaC29H37N7O6
Molecular Weight579.66 g/mol
Exact Mass579.28
IUPAC Name3-[[7-methoxy-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide
SMILESCNC(=O)c1cc(C)cc(NC(=O)Nc2nc(N3CCOCC3)nc3cc(OC)c(OCCN4CCOCC4)cc23)c1
InChIInChI=1S/C29H37N7O6/c1-19-14-20(27(37)30-2)16-21(15-19)31-29(38)34-26-22-17-25(42-13-6-35-4-9-40-10-5-35)24(39-3)18-23(22)32-28(33-26)36-7-11-41-12-8-36/h14-18H,4-13H2,1-3H3,(H,30,37)(H2,31,32,33,34,38)
InChIKeyLCMBBLIXJPWTRG-UHFFFAOYSA-N
XLogP2.50
TPSA139.41 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.66
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Launch Full Analysis

Related Compounds

3-[[7-methoxy-2-morpholin-4-yl-6-(3-morpholin-4-ylpropyl)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide
CID 71166521
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
2-[7-methoxy-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-1-(3-methylphenyl)guanidine
CID 11179960
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-methoxy-2-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 72714452
6,7-dimethoxy-2-morpholin-4-yl-N-phenylquinazolin-4-amine
CID 71738609
N'-(3-methylphenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide
CID 58808808
1-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 141472646
1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 22936388
N-(6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-yl)acetamide
CID 616327

Frequently Asked Questions

What is the IUPAC name of 3-[[7-methoxy-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide?
The IUPAC name of 3-[[7-methoxy-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide (CID 11238572) is 3-[[7-methoxy-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide.
What is the SMILES notation for 3-[[7-methoxy-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide?
The canonical SMILES for 3-[[7-methoxy-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide is CNC(=O)c1cc(C)cc(NC(=O)Nc2nc(N3CCOCC3)nc3cc(OC)c(OCCN4CCOCC4)cc23)c1.
What is the InChIKey of 3-[[7-methoxy-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide?
The InChIKey is LCMBBLIXJPWTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O6/c1-19-14-20(27(37)30-2)16-21(15-19)31-29(38)34-26-22-17-25(42-13-6-35-4-9-40-10-5-35)24(39-3)18-23(22)32-28(33-26)36-7-11-41-12-8-36/h14-18H,4-13H2,1-3H3,(H,30,37)(H2,31,32,33,34,38).
What are the key properties of 3-[[7-methoxy-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide?
3-[[7-methoxy-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide has a molecular weight of 579.66 g/mol, XLogP of 2.50, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-methoxy-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide is sourced from PubChem (CID 11238572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).