7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one

C23H26N4O2 — CID 146641528

IUPAC7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one
SMILESCc1ccc2c(C3CCN(CCN4CCc5cccnc5C4=O)CC3)noc2c1
InChIInChI=1S/C23H26N4O2/c1-16-4-5-19-20(15-16)29-25-21(19)18-6-10-26(11-7-18)13-14-27-12-8-17-3-2-9-24-22(17)23(27)28/h2-5,9,15,18H,6-8,10-14H2,1H3
InChIKeyGGDAAOYMJLRWGO-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.41
Rot. Bonds4

About 7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one

7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one (PubChem CID 146641528) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one
PubChem CID146641528
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one
SMILESCc1ccc2c(C3CCN(CCN4CCc5cccnc5C4=O)CC3)noc2c1
InChIInChI=1S/C23H26N4O2/c1-16-4-5-19-20(15-16)29-25-21(19)18-6-10-26(11-7-18)13-14-27-12-8-17-3-2-9-24-22(17)23(27)28/h2-5,9,15,18H,6-8,10-14H2,1H3
InChIKeyGGDAAOYMJLRWGO-UHFFFAOYSA-N
XLogP3.41
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one?
The IUPAC name of 7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one (CID 146641528) is 7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one.
What is the SMILES notation for 7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one?
The canonical SMILES for 7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one is Cc1ccc2c(C3CCN(CCN4CCc5cccnc5C4=O)CC3)noc2c1.
What is the InChIKey of 7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one?
The InChIKey is GGDAAOYMJLRWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-4-5-19-20(15-16)29-25-21(19)18-6-10-26(11-7-18)13-14-27-12-8-17-3-2-9-24-22(17)23(27)28/h2-5,9,15,18H,6-8,10-14H2,1H3.
What are the key properties of 7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one?
7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one has a molecular weight of 390.49 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one is sourced from PubChem (CID 146641528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).