3-(2-chloro-3,5-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one

C24H25ClN4O4 — CID 24897106

IUPAC3-(2-chloro-3,5-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc4[nH]ccc4c3n(CCN3CCOCC3)c2=O)c1
InChIInChI=1S/C24H25ClN4O4/c1-31-16-12-18(21(25)20(13-16)32-2)19-11-15-14-27-23-17(3-4-26-23)22(15)29(24(19)30)6-5-28-7-9-33-10-8-28/h3-4,11-14H,5-10H2,1-2H3,(H,26,27)
InChIKeyDRUWRSRTPFKSCD-UHFFFAOYSA-N
MW468.94 g/mol
LogP3.55
Rot. Bonds6

About 3-(2-chloro-3,5-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one

3-(2-chloro-3,5-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one (PubChem CID 24897106) has the molecular formula C24H25ClN4O4 and a molecular weight of 468.94 g/mol. Its IUPAC name is 3-(2-chloro-3,5-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one.

Molecular Properties

Compound Name3-(2-chloro-3,5-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one
PubChem CID24897106
Molecular FormulaC24H25ClN4O4
Molecular Weight468.94 g/mol
Exact Mass468.16
IUPAC Name3-(2-chloro-3,5-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc4[nH]ccc4c3n(CCN3CCOCC3)c2=O)c1
InChIInChI=1S/C24H25ClN4O4/c1-31-16-12-18(21(25)20(13-16)32-2)19-11-15-14-27-23-17(3-4-26-23)22(15)29(24(19)30)6-5-28-7-9-33-10-8-28/h3-4,11-14H,5-10H2,1-2H3,(H,26,27)
InChIKeyDRUWRSRTPFKSCD-UHFFFAOYSA-N
XLogP3.55
TPSA81.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.94
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3,5-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one?
The IUPAC name of 3-(2-chloro-3,5-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one (CID 24897106) is 3-(2-chloro-3,5-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one.
What is the SMILES notation for 3-(2-chloro-3,5-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one?
The canonical SMILES for 3-(2-chloro-3,5-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one is COc1cc(OC)c(Cl)c(-c2cc3cnc4[nH]ccc4c3n(CCN3CCOCC3)c2=O)c1.
What is the InChIKey of 3-(2-chloro-3,5-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one?
The InChIKey is DRUWRSRTPFKSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O4/c1-31-16-12-18(21(25)20(13-16)32-2)19-11-15-14-27-23-17(3-4-26-23)22(15)29(24(19)30)6-5-28-7-9-33-10-8-28/h3-4,11-14H,5-10H2,1-2H3,(H,26,27).
What are the key properties of 3-(2-chloro-3,5-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one?
3-(2-chloro-3,5-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one has a molecular weight of 468.94 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3,5-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one is sourced from PubChem (CID 24897106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).