6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-1-ethyl-3-methyl-1,8-naphthyridin-4-one;ethane

C23H29N3O — CID 142369043

IUPAC6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-1-ethyl-3-methyl-1,8-naphthyridin-4-one;ethane
SMILESCC.CCn1cc(C)c(=O)c2cc(N(C)C3Cc4ccccc4C3)cnc21
InChIInChI=1S/C21H23N3O.C2H6/c1-4-24-13-14(2)20(25)19-11-18(12-22-21(19)24)23(3)17-9-15-7-5-6-8-16(15)10-17;1-2/h5-8,11-13,17H,4,9-10H2,1-3H3;1-2H3
InChIKeyIIVHAZWOVPPBKC-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.35
Rot. Bonds3

About 6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-1-ethyl-3-methyl-1,8-naphthyridin-4-one;ethane

6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-1-ethyl-3-methyl-1,8-naphthyridin-4-one;ethane (PubChem CID 142369043) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-1-ethyl-3-methyl-1,8-naphthyridin-4-one;ethane.

Molecular Properties

Compound Name6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-1-ethyl-3-methyl-1,8-naphthyridin-4-one;ethane
PubChem CID142369043
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-1-ethyl-3-methyl-1,8-naphthyridin-4-one;ethane
SMILESCC.CCn1cc(C)c(=O)c2cc(N(C)C3Cc4ccccc4C3)cnc21
InChIInChI=1S/C21H23N3O.C2H6/c1-4-24-13-14(2)20(25)19-11-18(12-22-21(19)24)23(3)17-9-15-7-5-6-8-16(15)10-17;1-2/h5-8,11-13,17H,4,9-10H2,1-3H3;1-2H3
InChIKeyIIVHAZWOVPPBKC-UHFFFAOYSA-N
XLogP4.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-1-ethyl-3-methyl-1,8-naphthyridin-4-one;ethane?
The IUPAC name of 6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-1-ethyl-3-methyl-1,8-naphthyridin-4-one;ethane (CID 142369043) is 6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-1-ethyl-3-methyl-1,8-naphthyridin-4-one;ethane.
What is the SMILES notation for 6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-1-ethyl-3-methyl-1,8-naphthyridin-4-one;ethane?
The canonical SMILES for 6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-1-ethyl-3-methyl-1,8-naphthyridin-4-one;ethane is CC.CCn1cc(C)c(=O)c2cc(N(C)C3Cc4ccccc4C3)cnc21.
What is the InChIKey of 6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-1-ethyl-3-methyl-1,8-naphthyridin-4-one;ethane?
The InChIKey is IIVHAZWOVPPBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O.C2H6/c1-4-24-13-14(2)20(25)19-11-18(12-22-21(19)24)23(3)17-9-15-7-5-6-8-16(15)10-17;1-2/h5-8,11-13,17H,4,9-10H2,1-3H3;1-2H3.
What are the key properties of 6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-1-ethyl-3-methyl-1,8-naphthyridin-4-one;ethane?
6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-1-ethyl-3-methyl-1,8-naphthyridin-4-one;ethane has a molecular weight of 363.51 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-1-ethyl-3-methyl-1,8-naphthyridin-4-one;ethane is sourced from PubChem (CID 142369043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).