5-(cyclopropylmethoxymethyl)-2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine

C20H23FN2O — CID 97381960

IUPAC5-(cyclopropylmethoxymethyl)-2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine
SMILESFc1ccc(CN2CCc3c(COCC4CC4)cncc3C2)cc1
InChIInChI=1S/C20H23FN2O/c21-19-5-3-15(4-6-19)11-23-8-7-20-17(12-23)9-22-10-18(20)14-24-13-16-1-2-16/h3-6,9-10,16H,1-2,7-8,11-14H2
InChIKeyHCCLZAHQUQUGNW-UHFFFAOYSA-N
MW326.41 g/mol
LogP3.71
Rot. Bonds6

About 5-(cyclopropylmethoxymethyl)-2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine

5-(cyclopropylmethoxymethyl)-2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 97381960) has the molecular formula C20H23FN2O and a molecular weight of 326.41 g/mol. Its IUPAC name is 5-(cyclopropylmethoxymethyl)-2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name5-(cyclopropylmethoxymethyl)-2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID97381960
Molecular FormulaC20H23FN2O
Molecular Weight326.41 g/mol
Exact Mass326.18
IUPAC Name5-(cyclopropylmethoxymethyl)-2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine
SMILESFc1ccc(CN2CCc3c(COCC4CC4)cncc3C2)cc1
InChIInChI=1S/C20H23FN2O/c21-19-5-3-15(4-6-19)11-23-8-7-20-17(12-23)9-22-10-18(20)14-24-13-16-1-2-16/h3-6,9-10,16H,1-2,7-8,11-14H2
InChIKeyHCCLZAHQUQUGNW-UHFFFAOYSA-N
XLogP3.71
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxymethyl)-2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 5-(cyclopropylmethoxymethyl)-2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine (CID 97381960) is 5-(cyclopropylmethoxymethyl)-2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 5-(cyclopropylmethoxymethyl)-2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 5-(cyclopropylmethoxymethyl)-2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine is Fc1ccc(CN2CCc3c(COCC4CC4)cncc3C2)cc1.
What is the InChIKey of 5-(cyclopropylmethoxymethyl)-2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is HCCLZAHQUQUGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c21-19-5-3-15(4-6-19)11-23-8-7-20-17(12-23)9-22-10-18(20)14-24-13-16-1-2-16/h3-6,9-10,16H,1-2,7-8,11-14H2.
What are the key properties of 5-(cyclopropylmethoxymethyl)-2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine?
5-(cyclopropylmethoxymethyl)-2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 326.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxymethyl)-2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 97381960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).