5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-morpholin-4-ylcyclopentyl)methylamino]-1,6-naphthyridin-2-one

C30H29Cl3N4O2 — CID 23532734

IUPAC5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-morpholin-4-ylcyclopentyl)methylamino]-1,6-naphthyridin-2-one
SMILESO=c1ccc2c(-c3ccccc3Cl)nc(NCC3(N4CCOCC4)CCCC3)cc2n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C30H29Cl3N4O2/c31-22-7-2-1-6-20(22)28-21-10-11-27(38)37(29-23(32)8-5-9-24(29)33)25(21)18-26(35-28)34-19-30(12-3-4-13-30)36-14-16-39-17-15-36/h1-2,5-11,18H,3-4,12-17,19H2,(H,34,35)
InChIKeyIHTKRUWGGQAGQA-UHFFFAOYSA-N
MW583.95 g/mol
LogP7.07
Rot. Bonds6

About 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-morpholin-4-ylcyclopentyl)methylamino]-1,6-naphthyridin-2-one

5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-morpholin-4-ylcyclopentyl)methylamino]-1,6-naphthyridin-2-one (PubChem CID 23532734) has the molecular formula C30H29Cl3N4O2 and a molecular weight of 583.95 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-morpholin-4-ylcyclopentyl)methylamino]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-morpholin-4-ylcyclopentyl)methylamino]-1,6-naphthyridin-2-one
PubChem CID23532734
Molecular FormulaC30H29Cl3N4O2
Molecular Weight583.95 g/mol
Exact Mass582.14
IUPAC Name5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-morpholin-4-ylcyclopentyl)methylamino]-1,6-naphthyridin-2-one
SMILESO=c1ccc2c(-c3ccccc3Cl)nc(NCC3(N4CCOCC4)CCCC3)cc2n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C30H29Cl3N4O2/c31-22-7-2-1-6-20(22)28-21-10-11-27(38)37(29-23(32)8-5-9-24(29)33)25(21)18-26(35-28)34-19-30(12-3-4-13-30)36-14-16-39-17-15-36/h1-2,5-11,18H,3-4,12-17,19H2,(H,34,35)
InChIKeyIHTKRUWGGQAGQA-UHFFFAOYSA-N
XLogP7.07
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.95
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-morpholin-4-ylcyclopentyl)methylamino]-1,6-naphthyridin-2-one?
The IUPAC name of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-morpholin-4-ylcyclopentyl)methylamino]-1,6-naphthyridin-2-one (CID 23532734) is 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-morpholin-4-ylcyclopentyl)methylamino]-1,6-naphthyridin-2-one.
What is the SMILES notation for 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-morpholin-4-ylcyclopentyl)methylamino]-1,6-naphthyridin-2-one?
The canonical SMILES for 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-morpholin-4-ylcyclopentyl)methylamino]-1,6-naphthyridin-2-one is O=c1ccc2c(-c3ccccc3Cl)nc(NCC3(N4CCOCC4)CCCC3)cc2n1-c1c(Cl)cccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-morpholin-4-ylcyclopentyl)methylamino]-1,6-naphthyridin-2-one?
The InChIKey is IHTKRUWGGQAGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29Cl3N4O2/c31-22-7-2-1-6-20(22)28-21-10-11-27(38)37(29-23(32)8-5-9-24(29)33)25(21)18-26(35-28)34-19-30(12-3-4-13-30)36-14-16-39-17-15-36/h1-2,5-11,18H,3-4,12-17,19H2,(H,34,35).
What are the key properties of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-morpholin-4-ylcyclopentyl)methylamino]-1,6-naphthyridin-2-one?
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-morpholin-4-ylcyclopentyl)methylamino]-1,6-naphthyridin-2-one has a molecular weight of 583.95 g/mol, XLogP of 7.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-morpholin-4-ylcyclopentyl)methylamino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 23532734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).