(2R)-7-chloro-1-cyclopentyl-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one

C14H17ClN2O — CID 159541514

IUPAC(2R)-7-chloro-1-cyclopentyl-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one
SMILESC[C@@H]1C(=O)Cc2ccc(Cl)nc2N1C1CCCC1
InChIInChI=1S/C14H17ClN2O/c1-9-12(18)8-10-6-7-13(15)16-14(10)17(9)11-4-2-3-5-11/h6-7,9,11H,2-5,8H2,1H3/t9-/m1/s1
InChIKeyMEGQPPVEFXQZPA-SECBINFHSA-N
MW264.76 g/mol
LogP3.00
Rot. Bonds1

About (2R)-7-chloro-1-cyclopentyl-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one

(2R)-7-chloro-1-cyclopentyl-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one (PubChem CID 159541514) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is (2R)-7-chloro-1-cyclopentyl-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one.

Molecular Properties

Compound Name(2R)-7-chloro-1-cyclopentyl-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one
PubChem CID159541514
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name(2R)-7-chloro-1-cyclopentyl-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one
SMILESC[C@@H]1C(=O)Cc2ccc(Cl)nc2N1C1CCCC1
InChIInChI=1S/C14H17ClN2O/c1-9-12(18)8-10-6-7-13(15)16-14(10)17(9)11-4-2-3-5-11/h6-7,9,11H,2-5,8H2,1H3/t9-/m1/s1
InChIKeyMEGQPPVEFXQZPA-SECBINFHSA-N
XLogP3.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-7-chloro-1-cyclopentyl-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one?
The IUPAC name of (2R)-7-chloro-1-cyclopentyl-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one (CID 159541514) is (2R)-7-chloro-1-cyclopentyl-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one.
What is the SMILES notation for (2R)-7-chloro-1-cyclopentyl-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one?
The canonical SMILES for (2R)-7-chloro-1-cyclopentyl-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one is C[C@@H]1C(=O)Cc2ccc(Cl)nc2N1C1CCCC1.
What is the InChIKey of (2R)-7-chloro-1-cyclopentyl-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one?
The InChIKey is MEGQPPVEFXQZPA-SECBINFHSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-9-12(18)8-10-6-7-13(15)16-14(10)17(9)11-4-2-3-5-11/h6-7,9,11H,2-5,8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-7-chloro-1-cyclopentyl-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one?
(2R)-7-chloro-1-cyclopentyl-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one has a molecular weight of 264.76 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-chloro-1-cyclopentyl-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one is sourced from PubChem (CID 159541514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).