6-chloro-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-propan-2-yloxy-1H-quinolin-2-one

C24H25ClN4O2 — CID 135378474

IUPAC6-chloro-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-propan-2-yloxy-1H-quinolin-2-one
SMILESCC(C)Oc1cc2[nH]c(=O)c(C(C)Nc3cccc(-c4cncn4C)c3)cc2cc1Cl
InChIInChI=1S/C24H25ClN4O2/c1-14(2)31-23-11-21-17(10-20(23)25)9-19(24(30)28-21)15(3)27-18-7-5-6-16(8-18)22-12-26-13-29(22)4/h5-15,27H,1-4H3,(H,28,30)
InChIKeyJLJLSGMKDQYQEP-UHFFFAOYSA-N
MW436.94 g/mol
LogP5.54
Rot. Bonds6

About 6-chloro-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-propan-2-yloxy-1H-quinolin-2-one

6-chloro-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-propan-2-yloxy-1H-quinolin-2-one (PubChem CID 135378474) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 6-chloro-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-propan-2-yloxy-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-propan-2-yloxy-1H-quinolin-2-one
PubChem CID135378474
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name6-chloro-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-propan-2-yloxy-1H-quinolin-2-one
SMILESCC(C)Oc1cc2[nH]c(=O)c(C(C)Nc3cccc(-c4cncn4C)c3)cc2cc1Cl
InChIInChI=1S/C24H25ClN4O2/c1-14(2)31-23-11-21-17(10-20(23)25)9-19(24(30)28-21)15(3)27-18-7-5-6-16(8-18)22-12-26-13-29(22)4/h5-15,27H,1-4H3,(H,28,30)
InChIKeyJLJLSGMKDQYQEP-UHFFFAOYSA-N
XLogP5.54
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-propan-2-yloxy-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-propan-2-yloxy-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-propan-2-yloxy-1H-quinolin-2-one (CID 135378474) is 6-chloro-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-propan-2-yloxy-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-propan-2-yloxy-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-propan-2-yloxy-1H-quinolin-2-one is CC(C)Oc1cc2[nH]c(=O)c(C(C)Nc3cccc(-c4cncn4C)c3)cc2cc1Cl.
What is the InChIKey of 6-chloro-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-propan-2-yloxy-1H-quinolin-2-one?
The InChIKey is JLJLSGMKDQYQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-14(2)31-23-11-21-17(10-20(23)25)9-19(24(30)28-21)15(3)27-18-7-5-6-16(8-18)22-12-26-13-29(22)4/h5-15,27H,1-4H3,(H,28,30).
What are the key properties of 6-chloro-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-propan-2-yloxy-1H-quinolin-2-one?
6-chloro-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-propan-2-yloxy-1H-quinolin-2-one has a molecular weight of 436.94 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-propan-2-yloxy-1H-quinolin-2-one is sourced from PubChem (CID 135378474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).