6-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1H-1,8-naphthyridin-2-one

C22H21N3O2 — CID 162659764

IUPAC6-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1H-1,8-naphthyridin-2-one
SMILESCc1cc(-c2cnc3[nH]c(=O)ccc3c2)cc2c1C(=O)N(C(C)C1CC1)C2
InChIInChI=1S/C22H21N3O2/c1-12-7-16(17-8-15-5-6-19(26)24-21(15)23-10-17)9-18-11-25(22(27)20(12)18)13(2)14-3-4-14/h5-10,13-14H,3-4,11H2,1-2H3,(H,23,24,26)
InChIKeyARQBIVFDCRVRFZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.65
Rot. Bonds3

About 6-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1H-1,8-naphthyridin-2-one

6-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1H-1,8-naphthyridin-2-one (PubChem CID 162659764) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1H-1,8-naphthyridin-2-one
PubChem CID162659764
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name6-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1H-1,8-naphthyridin-2-one
SMILESCc1cc(-c2cnc3[nH]c(=O)ccc3c2)cc2c1C(=O)N(C(C)C1CC1)C2
InChIInChI=1S/C22H21N3O2/c1-12-7-16(17-8-15-5-6-19(26)24-21(15)23-10-17)9-18-11-25(22(27)20(12)18)13(2)14-3-4-14/h5-10,13-14H,3-4,11H2,1-2H3,(H,23,24,26)
InChIKeyARQBIVFDCRVRFZ-UHFFFAOYSA-N
XLogP3.65
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]-N-[(1R)-1-phenylethyl]propanamide
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N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]propanamide
CID 72948095

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1H-1,8-naphthyridin-2-one (CID 162659764) is 6-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1H-1,8-naphthyridin-2-one is Cc1cc(-c2cnc3[nH]c(=O)ccc3c2)cc2c1C(=O)N(C(C)C1CC1)C2.
What is the InChIKey of 6-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1H-1,8-naphthyridin-2-one?
The InChIKey is ARQBIVFDCRVRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-12-7-16(17-8-15-5-6-19(26)24-21(15)23-10-17)9-18-11-25(22(27)20(12)18)13(2)14-3-4-14/h5-10,13-14H,3-4,11H2,1-2H3,(H,23,24,26).
What are the key properties of 6-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1H-1,8-naphthyridin-2-one?
6-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1H-1,8-naphthyridin-2-one has a molecular weight of 359.43 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 162659764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).