[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone

C18H20N2O2S — CID 97463807

IUPAC[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCc2c(COCC3CC3)cncc2C1
InChIInChI=1S/C18H20N2O2S/c21-18(14-4-6-23-12-14)20-5-3-17-15(9-20)7-19-8-16(17)11-22-10-13-1-2-13/h4,6-8,12-13H,1-3,5,9-11H2
InChIKeyZSQLASAMWQVWIQ-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.27
Rot. Bonds5

About [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone

[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone (PubChem CID 97463807) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone
PubChem CID97463807
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCc2c(COCC3CC3)cncc2C1
InChIInChI=1S/C18H20N2O2S/c21-18(14-4-6-23-12-14)20-5-3-17-15(9-20)7-19-8-16(17)11-22-10-13-1-2-13/h4,6-8,12-13H,1-3,5,9-11H2
InChIKeyZSQLASAMWQVWIQ-UHFFFAOYSA-N
XLogP3.27
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone?
The IUPAC name of [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone (CID 97463807) is [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCc2c(COCC3CC3)cncc2C1.
What is the InChIKey of [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone?
The InChIKey is ZSQLASAMWQVWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-18(14-4-6-23-12-14)20-5-3-17-15(9-20)7-19-8-16(17)11-22-10-13-1-2-13/h4,6-8,12-13H,1-3,5,9-11H2.
What are the key properties of [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone?
[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone has a molecular weight of 328.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 97463807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).