(3,3-difluorocyclobutyl)-[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone

C16H20F2N2O2 — CID 131689677

IUPAC(3,3-difluorocyclobutyl)-[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
SMILESCCOCc1cncc2c1CCN(C(=O)C1CC(F)(F)C1)C2
InChIInChI=1S/C16H20F2N2O2/c1-2-22-10-13-8-19-7-12-9-20(4-3-14(12)13)15(21)11-5-16(17,18)6-11/h7-8,11H,2-6,9-10H2,1H3
InChIKeySRQKOUIBARZNAM-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.55
Rot. Bonds4

About (3,3-difluorocyclobutyl)-[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone

(3,3-difluorocyclobutyl)-[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone (PubChem CID 131689677) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
PubChem CID131689677
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name(3,3-difluorocyclobutyl)-[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
SMILESCCOCc1cncc2c1CCN(C(=O)C1CC(F)(F)C1)C2
InChIInChI=1S/C16H20F2N2O2/c1-2-22-10-13-8-19-7-12-9-20(4-3-14(12)13)15(21)11-5-16(17,18)6-11/h7-8,11H,2-6,9-10H2,1H3
InChIKeySRQKOUIBARZNAM-UHFFFAOYSA-N
XLogP2.55
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone (CID 131689677) is (3,3-difluorocyclobutyl)-[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone is CCOCc1cncc2c1CCN(C(=O)C1CC(F)(F)C1)C2.
What is the InChIKey of (3,3-difluorocyclobutyl)-[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
The InChIKey is SRQKOUIBARZNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c1-2-22-10-13-8-19-7-12-9-20(4-3-14(12)13)15(21)11-5-16(17,18)6-11/h7-8,11H,2-6,9-10H2,1H3.
What are the key properties of (3,3-difluorocyclobutyl)-[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
(3,3-difluorocyclobutyl)-[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone has a molecular weight of 310.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone is sourced from PubChem (CID 131689677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).