6-[2,6-dichloro-4-(2-hydroxypropan-2-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one

C20H16Cl2N4O2 — CID 59436109

IUPAC6-[2,6-dichloro-4-(2-hydroxypropan-2-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
SMILESCC(C)(O)c1cc(Cl)c(Nc2nc3ccncc3c3c(=O)[nH]ccc23)c(Cl)c1
InChIInChI=1S/C20H16Cl2N4O2/c1-20(2,28)10-7-13(21)17(14(22)8-10)26-18-11-3-6-24-19(27)16(11)12-9-23-5-4-15(12)25-18/h3-9,28H,1-2H3,(H,24,27)(H,25,26)
InChIKeyGQLLFQLMJSBBNK-UHFFFAOYSA-N
MW415.28 g/mol
LogP4.75
Rot. Bonds3

About 6-[2,6-dichloro-4-(2-hydroxypropan-2-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one

6-[2,6-dichloro-4-(2-hydroxypropan-2-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one (PubChem CID 59436109) has the molecular formula C20H16Cl2N4O2 and a molecular weight of 415.28 g/mol. Its IUPAC name is 6-[2,6-dichloro-4-(2-hydroxypropan-2-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one.

Molecular Properties

Compound Name6-[2,6-dichloro-4-(2-hydroxypropan-2-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
PubChem CID59436109
Molecular FormulaC20H16Cl2N4O2
Molecular Weight415.28 g/mol
Exact Mass414.07
IUPAC Name6-[2,6-dichloro-4-(2-hydroxypropan-2-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
SMILESCC(C)(O)c1cc(Cl)c(Nc2nc3ccncc3c3c(=O)[nH]ccc23)c(Cl)c1
InChIInChI=1S/C20H16Cl2N4O2/c1-20(2,28)10-7-13(21)17(14(22)8-10)26-18-11-3-6-24-19(27)16(11)12-9-23-5-4-15(12)25-18/h3-9,28H,1-2H3,(H,24,27)(H,25,26)
InChIKeyGQLLFQLMJSBBNK-UHFFFAOYSA-N
XLogP4.75
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-[2,6-dichloro-4-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
CID 59436001
6-(2,6-dichloro-4-fluoroanilino)-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
CID 59436062
6-[2,6-dichloro-4-(1-hydroxyethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
CID 76314606
CID 76321886
CID 76321886
US10023557, Example 94
CID 118665190
US10023557, Example 97
CID 118665282
US10023557, Example 212
CID 124181946
US10023557, Example 275
CID 124182386
US10023557, Example 277
CID 124182400
US10023557, Example 210
CID 124182880
US10023557, Example 224
CID 124182897
US10023557, Example 219
CID 126501514

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-dichloro-4-(2-hydroxypropan-2-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The IUPAC name of 6-[2,6-dichloro-4-(2-hydroxypropan-2-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one (CID 59436109) is 6-[2,6-dichloro-4-(2-hydroxypropan-2-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one.
What is the SMILES notation for 6-[2,6-dichloro-4-(2-hydroxypropan-2-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The canonical SMILES for 6-[2,6-dichloro-4-(2-hydroxypropan-2-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one is CC(C)(O)c1cc(Cl)c(Nc2nc3ccncc3c3c(=O)[nH]ccc23)c(Cl)c1.
What is the InChIKey of 6-[2,6-dichloro-4-(2-hydroxypropan-2-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The InChIKey is GQLLFQLMJSBBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O2/c1-20(2,28)10-7-13(21)17(14(22)8-10)26-18-11-3-6-24-19(27)16(11)12-9-23-5-4-15(12)25-18/h3-9,28H,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 6-[2,6-dichloro-4-(2-hydroxypropan-2-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
6-[2,6-dichloro-4-(2-hydroxypropan-2-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one has a molecular weight of 415.28 g/mol, XLogP of 4.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-dichloro-4-(2-hydroxypropan-2-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one is sourced from PubChem (CID 59436109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).