4-(4-methoxyphenyl)-2-methyl-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-2,6-naphthyridine

C25H35N3O2 — CID 15982036

IUPAC4-(4-methoxyphenyl)-2-methyl-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-2,6-naphthyridine
SMILESCOc1ccc(C2CN(C)Cc3cc(OCC4CCN(C(C)C)CC4)ncc32)cc1
InChIInChI=1S/C25H35N3O2/c1-18(2)28-11-9-19(10-12-28)17-30-25-13-21-15-27(3)16-24(23(21)14-26-25)20-5-7-22(29-4)8-6-20/h5-8,13-14,18-19,24H,9-12,15-17H2,1-4H3
InChIKeyOLQOHRMMVIEWDK-UHFFFAOYSA-N
MW409.57 g/mol
LogP4.17
Rot. Bonds6

About 4-(4-methoxyphenyl)-2-methyl-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-2,6-naphthyridine

4-(4-methoxyphenyl)-2-methyl-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-2,6-naphthyridine (PubChem CID 15982036) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-methyl-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-2,6-naphthyridine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-methyl-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-2,6-naphthyridine
PubChem CID15982036
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name4-(4-methoxyphenyl)-2-methyl-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-2,6-naphthyridine
SMILESCOc1ccc(C2CN(C)Cc3cc(OCC4CCN(C(C)C)CC4)ncc32)cc1
InChIInChI=1S/C25H35N3O2/c1-18(2)28-11-9-19(10-12-28)17-30-25-13-21-15-27(3)16-24(23(21)14-26-25)20-5-7-22(29-4)8-6-20/h5-8,13-14,18-19,24H,9-12,15-17H2,1-4H3
InChIKeyOLQOHRMMVIEWDK-UHFFFAOYSA-N
XLogP4.17
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-methyl-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-2,6-naphthyridine?
The IUPAC name of 4-(4-methoxyphenyl)-2-methyl-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-2,6-naphthyridine (CID 15982036) is 4-(4-methoxyphenyl)-2-methyl-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-2,6-naphthyridine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-methyl-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-2,6-naphthyridine?
The canonical SMILES for 4-(4-methoxyphenyl)-2-methyl-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-2,6-naphthyridine is COc1ccc(C2CN(C)Cc3cc(OCC4CCN(C(C)C)CC4)ncc32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-methyl-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-2,6-naphthyridine?
The InChIKey is OLQOHRMMVIEWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-18(2)28-11-9-19(10-12-28)17-30-25-13-21-15-27(3)16-24(23(21)14-26-25)20-5-7-22(29-4)8-6-20/h5-8,13-14,18-19,24H,9-12,15-17H2,1-4H3.
What are the key properties of 4-(4-methoxyphenyl)-2-methyl-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-2,6-naphthyridine?
4-(4-methoxyphenyl)-2-methyl-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-2,6-naphthyridine has a molecular weight of 409.57 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-methyl-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-2,6-naphthyridine is sourced from PubChem (CID 15982036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).