3-(chloromethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one

C14H21ClN2O — CID 82521582

IUPAC3-(chloromethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCN1CCc2c(cc(CCl)c(=O)n2C(C)C)C1
InChIInChI=1S/C14H21ClN2O/c1-4-16-6-5-13-12(9-16)7-11(8-15)14(18)17(13)10(2)3/h7,10H,4-6,8-9H2,1-3H3
InChIKeyQOFYMJUEQVIHJH-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.55
Rot. Bonds3

About 3-(chloromethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(chloromethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82521582) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-(chloromethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(chloromethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82521582
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name3-(chloromethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCN1CCc2c(cc(CCl)c(=O)n2C(C)C)C1
InChIInChI=1S/C14H21ClN2O/c1-4-16-6-5-13-12(9-16)7-11(8-15)14(18)17(13)10(2)3/h7,10H,4-6,8-9H2,1-3H3
InChIKeyQOFYMJUEQVIHJH-UHFFFAOYSA-N
XLogP2.55
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(1-aminoethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521573
6-ethyl-1-methyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521667
6-ethyl-1-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521684
1-butan-2-yl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521486
3-(1-aminoethyl)-1,6-diethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521626
6-ethyl-3-(ethylaminomethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521683
3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521680
3-[(cyclopentylamino)methyl]-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522000
3-[(cyclopropylamino)methyl]-6-ethyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521615
6-ethyl-1-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde
CID 82521685
1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521892
6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521675

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(chloromethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82521582) is 3-(chloromethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(chloromethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(chloromethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one is CCN1CCc2c(cc(CCl)c(=O)n2C(C)C)C1.
What is the InChIKey of 3-(chloromethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is QOFYMJUEQVIHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-16-6-5-13-12(9-16)7-11(8-15)14(18)17(13)10(2)3/h7,10H,4-6,8-9H2,1-3H3.
What are the key properties of 3-(chloromethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(chloromethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 268.79 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82521582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).