6-(8-chloro-5-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one

C22H16ClN5O — CID 137439027

IUPAC6-(8-chloro-5-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1ccn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncccc3c2C)n1
InChIInChI=1S/C22H16ClN5O/c1-12-6-9-28(27-12)22-16(10-17-19(29)5-8-25-21(17)26-22)15-11-18(23)20-14(13(15)2)4-3-7-24-20/h3-11H,1-2H3,(H,25,26,29)
InChIKeyRPTKIUKIUBQDIN-UHFFFAOYSA-N
MW401.86 g/mol
LogP4.59
Rot. Bonds2

About 6-(8-chloro-5-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one

6-(8-chloro-5-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 137439027) has the molecular formula C22H16ClN5O and a molecular weight of 401.86 g/mol. Its IUPAC name is 6-(8-chloro-5-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(8-chloro-5-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one
PubChem CID137439027
Molecular FormulaC22H16ClN5O
Molecular Weight401.86 g/mol
Exact Mass401.10
IUPAC Name6-(8-chloro-5-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1ccn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncccc3c2C)n1
InChIInChI=1S/C22H16ClN5O/c1-12-6-9-28(27-12)22-16(10-17-19(29)5-8-25-21(17)26-22)15-11-18(23)20-14(13(15)2)4-3-7-24-20/h3-11H,1-2H3,(H,25,26,29)
InChIKeyRPTKIUKIUBQDIN-UHFFFAOYSA-N
XLogP4.59
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.86
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-{[2,6-Dichloro-4-(1H-pyrazol-5-yl)phenyl]amino}pyrido[4,3-c]-1,6-naphthyridin-10(9H)-one
CID 59436022
5-(2-chloroanilino)-N-ethylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57392127
3-Chloro-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide
CID 67500077
3-chloro-N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]benzamide
CID 73386864
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]quinoline-3-carboxamide
CID 132056709
US10301284, Example 15
CID 134177981
US10301284, Example 91
CID 134178601
US10301284, Example 93
CID 134178792
US11673893, Example 60
CID 156136469
N-((6-Amino-2,4-dimethylpyridin-3-yl)methyl)-1-((3-chloroquinolin-6-yl)methyl)-1H-pyrazole-4-carboxamide
CID 58081249
US10301284, Example 17
CID 134177986
US10301284, Example 77
CID 134178076

Frequently Asked Questions

What is the IUPAC name of 6-(8-chloro-5-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(8-chloro-5-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one (CID 137439027) is 6-(8-chloro-5-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(8-chloro-5-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(8-chloro-5-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one is Cc1ccn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncccc3c2C)n1.
What is the InChIKey of 6-(8-chloro-5-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is RPTKIUKIUBQDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O/c1-12-6-9-28(27-12)22-16(10-17-19(29)5-8-25-21(17)26-22)15-11-18(23)20-14(13(15)2)4-3-7-24-20/h3-11H,1-2H3,(H,25,26,29).
What are the key properties of 6-(8-chloro-5-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one?
6-(8-chloro-5-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 401.86 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloro-5-methylquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137439027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).