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

C23H26N4O3 — CID 146344666

IUPAC7-[2-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one
SMILESCOc1ccc2c(C3CCN(CCN4CCc5cccnc5C4=O)CC3)noc2c1
InChIInChI=1S/C23H26N4O3/c1-29-18-4-5-19-20(15-18)30-25-21(19)17-6-10-26(11-7-17)13-14-27-12-8-16-3-2-9-24-22(16)23(27)28/h2-5,9,15,17H,6-8,10-14H2,1H3
InChIKeyPBKFFMXSZBEQSD-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.11
Rot. Bonds5

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

7-[2-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one (PubChem CID 146344666) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 7-[2-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-[2-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one
PubChem CID146344666
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name7-[2-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one
SMILESCOc1ccc2c(C3CCN(CCN4CCc5cccnc5C4=O)CC3)noc2c1
InChIInChI=1S/C23H26N4O3/c1-29-18-4-5-19-20(15-18)30-25-21(19)17-6-10-26(11-7-17)13-14-27-12-8-16-3-2-9-24-22(16)23(27)28/h2-5,9,15,17H,6-8,10-14H2,1H3
InChIKeyPBKFFMXSZBEQSD-UHFFFAOYSA-N
XLogP3.11
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

US10745401, Example 4
CID 146344053
US10745401, Example 119
CID 146344657
(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 22551046
5-(6-Methoxy-1-benzofuran-2-yl)pyridine-2-carboxamide
CID 46881598
(4-Cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1,2-benzoxazol-6-yl)oxy]-3-pyridinyl]methanone
CID 71626422
2-(2,4-Dimethoxyphenyl)-3-(pyridine-3-carbonyl)indolizine
CID 2327083
US10745401, Example 5
CID 146343629
US10745401, Example 6
CID 146343630
US10745401, Example 122
CID 146344048
US10745401, Example 121
CID 146344050
US10745401, Example 141
CID 146344664
US10745401, Example 140
CID 146641095

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(6-methoxy-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-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one (CID 146344666) is 7-[2-[4-(6-methoxy-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-methoxy-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-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one is COc1ccc2c(C3CCN(CCN4CCc5cccnc5C4=O)CC3)noc2c1.
What is the InChIKey of 7-[2-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one?
The InChIKey is PBKFFMXSZBEQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-29-18-4-5-19-20(15-18)30-25-21(19)17-6-10-26(11-7-17)13-14-27-12-8-16-3-2-9-24-22(16)23(27)28/h2-5,9,15,17H,6-8,10-14H2,1H3.
What are the key properties of 7-[2-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one?
7-[2-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one has a molecular weight of 406.49 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one is sourced from PubChem (CID 146344666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).