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

C23H24N4O2 — CID 154620437

IUPAC7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,7-naphthyridin-8-one
SMILESCc1ccc2c(C3CCN(CCn4ccc5cccnc5c4=O)CC3)noc2c1
InChIInChI=1S/C23H24N4O2/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/h2-5,8-9,12,15,18H,6-7,10-11,13-14H2,1H3
InChIKeySNUCDENVLHQCFH-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.73
Rot. Bonds4

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

7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,7-naphthyridin-8-one (PubChem CID 154620437) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,7-naphthyridin-8-one
PubChem CID154620437
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,7-naphthyridin-8-one
SMILESCc1ccc2c(C3CCN(CCn4ccc5cccnc5c4=O)CC3)noc2c1
InChIInChI=1S/C23H24N4O2/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/h2-5,8-9,12,15,18H,6-7,10-11,13-14H2,1H3
InChIKeySNUCDENVLHQCFH-UHFFFAOYSA-N
XLogP3.73
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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]-1,7-naphthyridin-8-one?
The IUPAC name of 7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,7-naphthyridin-8-one (CID 154620437) is 7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-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]-1,7-naphthyridin-8-one?
The canonical SMILES for 7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-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]-1,7-naphthyridin-8-one?
The InChIKey is SNUCDENVLHQCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/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/h2-5,8-9,12,15,18H,6-7,10-11,13-14H2,1H3.
What are the key properties of 7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,7-naphthyridin-8-one?
7-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,7-naphthyridin-8-one has a molecular weight of 388.47 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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]-1,7-naphthyridin-8-one is sourced from PubChem (CID 154620437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).