3-chloro-2-(2-fluorophenyl)-7-methoxy-8-(2-methylphenyl)-5-(2-methylpiperazin-1-yl)-1,6-naphthyridine

C27H26ClFN4O — CID 146235135

IUPAC3-chloro-2-(2-fluorophenyl)-7-methoxy-8-(2-methylphenyl)-5-(2-methylpiperazin-1-yl)-1,6-naphthyridine
SMILESCOc1nc(N2CCNCC2C)c2cc(Cl)c(-c3ccccc3F)nc2c1-c1ccccc1C
InChIInChI=1S/C27H26ClFN4O/c1-16-8-4-5-9-18(16)23-25-20(14-21(28)24(31-25)19-10-6-7-11-22(19)29)26(32-27(23)34-3)33-13-12-30-15-17(33)2/h4-11,14,17,30H,12-13,15H2,1-3H3
InChIKeyHZXBDJLWBMTDNQ-UHFFFAOYSA-N
MW476.98 g/mol
LogP5.87
Rot. Bonds4

About 3-chloro-2-(2-fluorophenyl)-7-methoxy-8-(2-methylphenyl)-5-(2-methylpiperazin-1-yl)-1,6-naphthyridine

3-chloro-2-(2-fluorophenyl)-7-methoxy-8-(2-methylphenyl)-5-(2-methylpiperazin-1-yl)-1,6-naphthyridine (PubChem CID 146235135) has the molecular formula C27H26ClFN4O and a molecular weight of 476.98 g/mol. Its IUPAC name is 3-chloro-2-(2-fluorophenyl)-7-methoxy-8-(2-methylphenyl)-5-(2-methylpiperazin-1-yl)-1,6-naphthyridine.

Molecular Properties

Compound Name3-chloro-2-(2-fluorophenyl)-7-methoxy-8-(2-methylphenyl)-5-(2-methylpiperazin-1-yl)-1,6-naphthyridine
PubChem CID146235135
Molecular FormulaC27H26ClFN4O
Molecular Weight476.98 g/mol
Exact Mass476.18
IUPAC Name3-chloro-2-(2-fluorophenyl)-7-methoxy-8-(2-methylphenyl)-5-(2-methylpiperazin-1-yl)-1,6-naphthyridine
SMILESCOc1nc(N2CCNCC2C)c2cc(Cl)c(-c3ccccc3F)nc2c1-c1ccccc1C
InChIInChI=1S/C27H26ClFN4O/c1-16-8-4-5-9-18(16)23-25-20(14-21(28)24(31-25)19-10-6-7-11-22(19)29)26(32-27(23)34-3)33-13-12-30-15-17(33)2/h4-11,14,17,30H,12-13,15H2,1-3H3
InChIKeyHZXBDJLWBMTDNQ-UHFFFAOYSA-N
XLogP5.87
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.98
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-fluorophenyl)-7-methoxy-8-(2-methylphenyl)-5-(2-methylpiperazin-1-yl)-1,6-naphthyridine?
The IUPAC name of 3-chloro-2-(2-fluorophenyl)-7-methoxy-8-(2-methylphenyl)-5-(2-methylpiperazin-1-yl)-1,6-naphthyridine (CID 146235135) is 3-chloro-2-(2-fluorophenyl)-7-methoxy-8-(2-methylphenyl)-5-(2-methylpiperazin-1-yl)-1,6-naphthyridine.
What is the SMILES notation for 3-chloro-2-(2-fluorophenyl)-7-methoxy-8-(2-methylphenyl)-5-(2-methylpiperazin-1-yl)-1,6-naphthyridine?
The canonical SMILES for 3-chloro-2-(2-fluorophenyl)-7-methoxy-8-(2-methylphenyl)-5-(2-methylpiperazin-1-yl)-1,6-naphthyridine is COc1nc(N2CCNCC2C)c2cc(Cl)c(-c3ccccc3F)nc2c1-c1ccccc1C.
What is the InChIKey of 3-chloro-2-(2-fluorophenyl)-7-methoxy-8-(2-methylphenyl)-5-(2-methylpiperazin-1-yl)-1,6-naphthyridine?
The InChIKey is HZXBDJLWBMTDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClFN4O/c1-16-8-4-5-9-18(16)23-25-20(14-21(28)24(31-25)19-10-6-7-11-22(19)29)26(32-27(23)34-3)33-13-12-30-15-17(33)2/h4-11,14,17,30H,12-13,15H2,1-3H3.
What are the key properties of 3-chloro-2-(2-fluorophenyl)-7-methoxy-8-(2-methylphenyl)-5-(2-methylpiperazin-1-yl)-1,6-naphthyridine?
3-chloro-2-(2-fluorophenyl)-7-methoxy-8-(2-methylphenyl)-5-(2-methylpiperazin-1-yl)-1,6-naphthyridine has a molecular weight of 476.98 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-fluorophenyl)-7-methoxy-8-(2-methylphenyl)-5-(2-methylpiperazin-1-yl)-1,6-naphthyridine is sourced from PubChem (CID 146235135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).