1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one

C22H25ClN4O2 — CID 127039740

IUPAC1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCN(Cc4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C22H25ClN4O2/c1-29-19-14-21-20(24-15-19)6-7-22(28)27(21)13-12-25-8-10-26(11-9-25)16-17-2-4-18(23)5-3-17/h2-7,14-15H,8-13,16H2,1H3
InChIKeyOFSRQRYFJISGCX-UHFFFAOYSA-N
MW412.92 g/mol
LogP2.88
Rot. Bonds6

About 1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one

1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one (PubChem CID 127039740) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
PubChem CID127039740
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCN(Cc4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C22H25ClN4O2/c1-29-19-14-21-20(24-15-19)6-7-22(28)27(21)13-12-25-8-10-26(11-9-25)16-17-2-4-18(23)5-3-17/h2-7,14-15H,8-13,16H2,1H3
InChIKeyOFSRQRYFJISGCX-UHFFFAOYSA-N
XLogP2.88
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one (CID 127039740) is 1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one is COc1cnc2ccc(=O)n(CCN3CCN(Cc4ccc(Cl)cc4)CC3)c2c1.
What is the InChIKey of 1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The InChIKey is OFSRQRYFJISGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-29-19-14-21-20(24-15-19)6-7-22(28)27(21)13-12-25-8-10-26(11-9-25)16-17-2-4-18(23)5-3-17/h2-7,14-15H,8-13,16H2,1H3.
What are the key properties of 1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one has a molecular weight of 412.92 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one is sourced from PubChem (CID 127039740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).