6,10-dichloro-17-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-methyl-16-propan-2-yl-1,16,18-triazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-2,4,6,8(13),9,11,15(19),17-octaen-20-one

C33H30Cl2N4O4 — CID 134186674

IUPAC6,10-dichloro-17-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-methyl-16-propan-2-yl-1,16,18-triazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-2,4,6,8(13),9,11,15(19),17-octaen-20-one
SMILESCOc1ccc(C(=O)N2CCOCC2)cc1-c1nc2c(n1C(C)C)C1c3ccc(Cl)cc3-c3c(Cl)ccc(C)c3N1C2=O
InChIInChI=1S/C33H30Cl2N4O4/c1-17(2)38-30-27(36-31(38)23-15-19(6-10-25(23)42-4)32(40)37-11-13-43-14-12-37)33(41)39-28-18(3)5-9-24(35)26(28)22-16-20(34)7-8-21(22)29(30)39/h5-10,15-17,29H,11-14H2,1-4H3
InChIKeyIODQFKATCCUIHI-UHFFFAOYSA-N
MW617.53 g/mol
LogP6.96
Rot. Bonds4

About 6,10-dichloro-17-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-methyl-16-propan-2-yl-1,16,18-triazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-2,4,6,8(13),9,11,15(19),17-octaen-20-one

6,10-dichloro-17-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-methyl-16-propan-2-yl-1,16,18-triazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-2,4,6,8(13),9,11,15(19),17-octaen-20-one (PubChem CID 134186674) has the molecular formula C33H30Cl2N4O4 and a molecular weight of 617.53 g/mol. Its IUPAC name is 6,10-dichloro-17-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-methyl-16-propan-2-yl-1,16,18-triazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-2,4,6,8(13),9,11,15(19),17-octaen-20-one.

Molecular Properties

Compound Name6,10-dichloro-17-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-methyl-16-propan-2-yl-1,16,18-triazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-2,4,6,8(13),9,11,15(19),17-octaen-20-one
PubChem CID134186674
Molecular FormulaC33H30Cl2N4O4
Molecular Weight617.53 g/mol
Exact Mass616.16
IUPAC Name6,10-dichloro-17-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-methyl-16-propan-2-yl-1,16,18-triazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-2,4,6,8(13),9,11,15(19),17-octaen-20-one
SMILESCOc1ccc(C(=O)N2CCOCC2)cc1-c1nc2c(n1C(C)C)C1c3ccc(Cl)cc3-c3c(Cl)ccc(C)c3N1C2=O
InChIInChI=1S/C33H30Cl2N4O4/c1-17(2)38-30-27(36-31(38)23-15-19(6-10-25(23)42-4)32(40)37-11-13-43-14-12-37)33(41)39-28-18(3)5-9-24(35)26(28)22-16-20(34)7-8-21(22)29(30)39/h5-10,15-17,29H,11-14H2,1-4H3
InChIKeyIODQFKATCCUIHI-UHFFFAOYSA-N
XLogP6.96
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.53
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,10-dichloro-17-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-methyl-16-propan-2-yl-1,16,18-triazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-2,4,6,8(13),9,11,15(19),17-octaen-20-one with MolForge

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Related Compounds

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CID 137301304
4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-2-[2-(3-hydroxy-3-methylazetidin-1-yl)-4-methoxypyrimidin-5-yl]-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86766894
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 108535373
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
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CID 4600615
4-[(4R)-5-(5-chloro-2-methylphenyl)-2-[2-(cyanomethyl)-5-methoxy-4-pyridinyl]-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-4-yl]benzonitrile
CID 86767017
5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 138628163
[3-[3-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59699915
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045550
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of 6,10-dichloro-17-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-methyl-16-propan-2-yl-1,16,18-triazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-2,4,6,8(13),9,11,15(19),17-octaen-20-one?
The IUPAC name of 6,10-dichloro-17-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-methyl-16-propan-2-yl-1,16,18-triazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-2,4,6,8(13),9,11,15(19),17-octaen-20-one (CID 134186674) is 6,10-dichloro-17-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-methyl-16-propan-2-yl-1,16,18-triazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-2,4,6,8(13),9,11,15(19),17-octaen-20-one.
What is the SMILES notation for 6,10-dichloro-17-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-methyl-16-propan-2-yl-1,16,18-triazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-2,4,6,8(13),9,11,15(19),17-octaen-20-one?
The canonical SMILES for 6,10-dichloro-17-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-methyl-16-propan-2-yl-1,16,18-triazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-2,4,6,8(13),9,11,15(19),17-octaen-20-one is COc1ccc(C(=O)N2CCOCC2)cc1-c1nc2c(n1C(C)C)C1c3ccc(Cl)cc3-c3c(Cl)ccc(C)c3N1C2=O.
What is the InChIKey of 6,10-dichloro-17-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-methyl-16-propan-2-yl-1,16,18-triazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-2,4,6,8(13),9,11,15(19),17-octaen-20-one?
The InChIKey is IODQFKATCCUIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30Cl2N4O4/c1-17(2)38-30-27(36-31(38)23-15-19(6-10-25(23)42-4)32(40)37-11-13-43-14-12-37)33(41)39-28-18(3)5-9-24(35)26(28)22-16-20(34)7-8-21(22)29(30)39/h5-10,15-17,29H,11-14H2,1-4H3.
What are the key properties of 6,10-dichloro-17-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-methyl-16-propan-2-yl-1,16,18-triazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-2,4,6,8(13),9,11,15(19),17-octaen-20-one?
6,10-dichloro-17-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-methyl-16-propan-2-yl-1,16,18-triazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-2,4,6,8(13),9,11,15(19),17-octaen-20-one has a molecular weight of 617.53 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dichloro-17-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-methyl-16-propan-2-yl-1,16,18-triazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-2,4,6,8(13),9,11,15(19),17-octaen-20-one is sourced from PubChem (CID 134186674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).