1-ethyl-7-[[1-(2-methoxyethyl)imidazol-4-yl]amino]-3-phenyl-1,6-naphthyridin-2-one

C22H23N5O2 — CID 118271170

IUPAC1-ethyl-7-[[1-(2-methoxyethyl)imidazol-4-yl]amino]-3-phenyl-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3cn(CCOC)cn3)cc21
InChIInChI=1S/C22H23N5O2/c1-3-27-19-12-20(25-21-14-26(15-24-21)9-10-29-2)23-13-17(19)11-18(22(27)28)16-7-5-4-6-8-16/h4-8,11-15H,3,9-10H2,1-2H3,(H,23,25)
InChIKeyLINNKMSVFATBCK-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.67
Rot. Bonds7

About 1-ethyl-7-[[1-(2-methoxyethyl)imidazol-4-yl]amino]-3-phenyl-1,6-naphthyridin-2-one

1-ethyl-7-[[1-(2-methoxyethyl)imidazol-4-yl]amino]-3-phenyl-1,6-naphthyridin-2-one (PubChem CID 118271170) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-ethyl-7-[[1-(2-methoxyethyl)imidazol-4-yl]amino]-3-phenyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-ethyl-7-[[1-(2-methoxyethyl)imidazol-4-yl]amino]-3-phenyl-1,6-naphthyridin-2-one
PubChem CID118271170
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name1-ethyl-7-[[1-(2-methoxyethyl)imidazol-4-yl]amino]-3-phenyl-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3cn(CCOC)cn3)cc21
InChIInChI=1S/C22H23N5O2/c1-3-27-19-12-20(25-21-14-26(15-24-21)9-10-29-2)23-13-17(19)11-18(22(27)28)16-7-5-4-6-8-16/h4-8,11-15H,3,9-10H2,1-2H3,(H,23,25)
InChIKeyLINNKMSVFATBCK-UHFFFAOYSA-N
XLogP3.67
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-[[1-(2-methoxyethyl)imidazol-4-yl]amino]-3-phenyl-1,6-naphthyridin-2-one?
The IUPAC name of 1-ethyl-7-[[1-(2-methoxyethyl)imidazol-4-yl]amino]-3-phenyl-1,6-naphthyridin-2-one (CID 118271170) is 1-ethyl-7-[[1-(2-methoxyethyl)imidazol-4-yl]amino]-3-phenyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-ethyl-7-[[1-(2-methoxyethyl)imidazol-4-yl]amino]-3-phenyl-1,6-naphthyridin-2-one?
The canonical SMILES for 1-ethyl-7-[[1-(2-methoxyethyl)imidazol-4-yl]amino]-3-phenyl-1,6-naphthyridin-2-one is CCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3cn(CCOC)cn3)cc21.
What is the InChIKey of 1-ethyl-7-[[1-(2-methoxyethyl)imidazol-4-yl]amino]-3-phenyl-1,6-naphthyridin-2-one?
The InChIKey is LINNKMSVFATBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-3-27-19-12-20(25-21-14-26(15-24-21)9-10-29-2)23-13-17(19)11-18(22(27)28)16-7-5-4-6-8-16/h4-8,11-15H,3,9-10H2,1-2H3,(H,23,25).
What are the key properties of 1-ethyl-7-[[1-(2-methoxyethyl)imidazol-4-yl]amino]-3-phenyl-1,6-naphthyridin-2-one?
1-ethyl-7-[[1-(2-methoxyethyl)imidazol-4-yl]amino]-3-phenyl-1,6-naphthyridin-2-one has a molecular weight of 389.46 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-[[1-(2-methoxyethyl)imidazol-4-yl]amino]-3-phenyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 118271170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).