3-chloro-5-[[7-methoxy-8-methyl-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N-methylbenzamide;ethane

C31H42ClN7O6 — CID 143341796

IUPAC3-chloro-5-[[7-methoxy-8-methyl-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N-methylbenzamide;ethane
SMILESCC.CNC(=O)c1cc(Cl)cc(NC(=O)Nc2nc(N3CCOCC3)nc3c(C)c(OC)c(OCCN4CCOCC4)cc23)c1
InChIInChI=1S/C29H36ClN7O6.C2H6/c1-18-24-22(17-23(25(18)40-3)43-13-6-36-4-9-41-10-5-36)26(34-28(33-24)37-7-11-42-12-8-37)35-29(39)32-21-15-19(27(38)31-2)14-20(30)16-21;1-2/h14-17H,4-13H2,1-3H3,(H,31,38)(H2,32,33,34,35,39);1-2H3
InChIKeyIIOUDMNBNDQIMF-UHFFFAOYSA-N
MW644.17 g/mol
LogP4.18
Rot. Bonds9

About 3-chloro-5-[[7-methoxy-8-methyl-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N-methylbenzamide;ethane

3-chloro-5-[[7-methoxy-8-methyl-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N-methylbenzamide;ethane (PubChem CID 143341796) has the molecular formula C31H42ClN7O6 and a molecular weight of 644.17 g/mol. Its IUPAC name is 3-chloro-5-[[7-methoxy-8-methyl-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N-methylbenzamide;ethane.

Molecular Properties

Compound Name3-chloro-5-[[7-methoxy-8-methyl-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N-methylbenzamide;ethane
PubChem CID143341796
Molecular FormulaC31H42ClN7O6
Molecular Weight644.17 g/mol
Exact Mass643.29
IUPAC Name3-chloro-5-[[7-methoxy-8-methyl-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N-methylbenzamide;ethane
SMILESCC.CNC(=O)c1cc(Cl)cc(NC(=O)Nc2nc(N3CCOCC3)nc3c(C)c(OC)c(OCCN4CCOCC4)cc23)c1
InChIInChI=1S/C29H36ClN7O6.C2H6/c1-18-24-22(17-23(25(18)40-3)43-13-6-36-4-9-41-10-5-36)26(34-28(33-24)37-7-11-42-12-8-37)35-29(39)32-21-15-19(27(38)31-2)14-20(30)16-21;1-2/h14-17H,4-13H2,1-3H3,(H,31,38)(H2,32,33,34,35,39);1-2H3
InChIKeyIIOUDMNBNDQIMF-UHFFFAOYSA-N
XLogP4.18
TPSA139.41 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500644.17
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-chloro-5-[[7-methoxy-8-methyl-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N-methylbenzamide;ethane 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-[[7-methoxy-2-morpholin-4-yl-6-(3-morpholin-4-ylpropyl)quinazolin-4-yl]carbamoylamino]-N,5-dimethylbenzamide
CID 71166521
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
1-(4-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylpyrimidin-4-yl]urea
CID 71193790
N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 59258759
2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide
CID 59553184
1-(3-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]urea
CID 84559837
N-(2-acetamidophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11634188
N-[[3,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]carbamothioyl]benzamide
CID 118961535
methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
CID 58976806
N-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 87482089

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[7-methoxy-8-methyl-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N-methylbenzamide;ethane?
The IUPAC name of 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) is 3-chloro-5-[[7-methoxy-8-methyl-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N-methylbenzamide;ethane.
What is the SMILES notation for 3-chloro-5-[[7-methoxy-8-methyl-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N-methylbenzamide;ethane?
The canonical SMILES for 3-chloro-5-[[7-methoxy-8-methyl-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N-methylbenzamide;ethane is CC.CNC(=O)c1cc(Cl)cc(NC(=O)Nc2nc(N3CCOCC3)nc3c(C)c(OC)c(OCCN4CCOCC4)cc23)c1.
What is the InChIKey of 3-chloro-5-[[7-methoxy-8-methyl-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N-methylbenzamide;ethane?
The InChIKey is IIOUDMNBNDQIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36ClN7O6.C2H6/c1-18-24-22(17-23(25(18)40-3)43-13-6-36-4-9-41-10-5-36)26(34-28(33-24)37-7-11-42-12-8-37)35-29(39)32-21-15-19(27(38)31-2)14-20(30)16-21;1-2/h14-17H,4-13H2,1-3H3,(H,31,38)(H2,32,33,34,35,39);1-2H3.
What are the key properties of 3-chloro-5-[[7-methoxy-8-methyl-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N-methylbenzamide;ethane?
3-chloro-5-[[7-methoxy-8-methyl-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N-methylbenzamide;ethane has a molecular weight of 644.17 g/mol, XLogP of 4.18, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[7-methoxy-8-methyl-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]carbamoylamino]-N-methylbenzamide;ethane is sourced from PubChem (CID 143341796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).