N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C20H17ClN4O2S — CID 121083019

IUPACN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2nc3c(C)ccc(Cl)c3s2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H17ClN4O2S/c1-4-25-9-13(16(26)12-7-6-11(3)22-18(12)25)19(27)24-20-23-15-10(2)5-8-14(21)17(15)28-20/h5-9H,4H2,1-3H3,(H,23,24,27)
InChIKeyIQYMVAOIRFQYBY-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.55
Rot. Bonds3

About N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 121083019) has the molecular formula C20H17ClN4O2S and a molecular weight of 412.90 g/mol. Its IUPAC name is N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID121083019
Molecular FormulaC20H17ClN4O2S
Molecular Weight412.90 g/mol
Exact Mass412.08
IUPAC NameN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2nc3c(C)ccc(Cl)c3s2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H17ClN4O2S/c1-4-25-9-13(16(26)12-7-6-11(3)22-18(12)25)19(27)24-20-23-15-10(2)5-8-14(21)17(15)28-20/h5-9H,4H2,1-3H3,(H,23,24,27)
InChIKeyIQYMVAOIRFQYBY-UHFFFAOYSA-N
XLogP4.55
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(5-fluoro-2-methylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 53087079
1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742
1-ethyl-N-(2-fluorophenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 859264
1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 11087497
1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4660897
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 7193169
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860466
N-(4-butan-2-ylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 3188582
1-ethyl-N-[(2R)-2-hydroxypropyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 95074253
N-(3-chloro-2-methylphenyl)-7-methyl-4-oxo-1-propyl-1,8-naphthyridine-3-carboxamide
CID 53087125
N-(2-benzylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 2083370
N-[(E)-[(E)-but-2-enylidene]amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 45278452

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 121083019) is N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)Nc2nc3c(C)ccc(Cl)c3s2)c(=O)c2ccc(C)nc21.
What is the InChIKey of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is IQYMVAOIRFQYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2S/c1-4-25-9-13(16(26)12-7-6-11(3)22-18(12)25)19(27)24-20-23-15-10(2)5-8-14(21)17(15)28-20/h5-9H,4H2,1-3H3,(H,23,24,27).
What are the key properties of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 412.90 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 121083019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).