6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-phenoxy-1,8-naphthyridin-4-one

C25H23N3O2 — CID 134603468

IUPAC6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-phenoxy-1,8-naphthyridin-4-one
SMILESCCn1cc(Oc2ccccc2)c(=O)c2cc(NC3Cc4ccccc4C3)cnc21
InChIInChI=1S/C25H23N3O2/c1-2-28-16-23(30-21-10-4-3-5-11-21)24(29)22-14-20(15-26-25(22)28)27-19-12-17-8-6-7-9-18(17)13-19/h3-11,14-16,19,27H,2,12-13H2,1H3
InChIKeyMQBHITSOBCXPCA-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.79
Rot. Bonds5

About 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-phenoxy-1,8-naphthyridin-4-one

6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-phenoxy-1,8-naphthyridin-4-one (PubChem CID 134603468) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-phenoxy-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-phenoxy-1,8-naphthyridin-4-one
PubChem CID134603468
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-phenoxy-1,8-naphthyridin-4-one
SMILESCCn1cc(Oc2ccccc2)c(=O)c2cc(NC3Cc4ccccc4C3)cnc21
InChIInChI=1S/C25H23N3O2/c1-2-28-16-23(30-21-10-4-3-5-11-21)24(29)22-14-20(15-26-25(22)28)27-19-12-17-8-6-7-9-18(17)13-19/h3-11,14-16,19,27H,2,12-13H2,1H3
InChIKeyMQBHITSOBCXPCA-UHFFFAOYSA-N
XLogP4.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-iodo-1,8-naphthyridin-4-one
CID 134588162
3-(aminomethyl)-6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-1,8-naphthyridin-4-one
CID 134603467
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-pyridin-3-yl-1,8-naphthyridin-4-one
CID 134588179
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(3-hydroxypropyl)-1,8-naphthyridin-4-one
CID 134590449
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(3-hydroxyprop-1-ynyl)-1,8-naphthyridin-4-one
CID 134588371
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-one
CID 134588052
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one
CID 24772165
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-N-(2-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 24954059
6-(2,3-dihydro-1H-inden-2-ylamino)-1-[2-(dimethylamino)ethyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 134588178
6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ethyl 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydrofluoride
CID 163666721
methyl 3-acetamido-1-ethyl-5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pyrrolo[2,3-b]pyridine-2-carboxylate
CID 26137995
1-ethyl-6-(oxan-4-ylamino)-1,8-naphthyridin-4-one
CID 134588609

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-phenoxy-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-phenoxy-1,8-naphthyridin-4-one (CID 134603468) is 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-phenoxy-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-phenoxy-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-phenoxy-1,8-naphthyridin-4-one is CCn1cc(Oc2ccccc2)c(=O)c2cc(NC3Cc4ccccc4C3)cnc21.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-phenoxy-1,8-naphthyridin-4-one?
The InChIKey is MQBHITSOBCXPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-2-28-16-23(30-21-10-4-3-5-11-21)24(29)22-14-20(15-26-25(22)28)27-19-12-17-8-6-7-9-18(17)13-19/h3-11,14-16,19,27H,2,12-13H2,1H3.
What are the key properties of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-phenoxy-1,8-naphthyridin-4-one?
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-phenoxy-1,8-naphthyridin-4-one has a molecular weight of 397.48 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-phenoxy-1,8-naphthyridin-4-one is sourced from PubChem (CID 134603468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).