[4-[4-(2-aminopropan-2-yl)anilino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl]-cyclopropylmethanone

C28H25Cl2N3O2 — CID 66715213

IUPAC[4-[4-(2-aminopropan-2-yl)anilino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl]-cyclopropylmethanone
SMILESCC(C)(N)c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)cc1
InChIInChI=1S/C28H25Cl2N3O2/c1-28(2,31)18-6-8-19(9-7-18)33-25-20-11-16(17-12-22(29)27(35)23(30)13-17)5-10-24(20)32-14-21(25)26(34)15-3-4-15/h5-15,35H,3-4,31H2,1-2H3,(H,32,33)
InChIKeyRTPRYXVITUNRNN-UHFFFAOYSA-N
MW506.43 g/mol
LogP7.44
Rot. Bonds6

About [4-[4-(2-aminopropan-2-yl)anilino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl]-cyclopropylmethanone

[4-[4-(2-aminopropan-2-yl)anilino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl]-cyclopropylmethanone (PubChem CID 66715213) has the molecular formula C28H25Cl2N3O2 and a molecular weight of 506.43 g/mol. Its IUPAC name is [4-[4-(2-aminopropan-2-yl)anilino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[4-(2-aminopropan-2-yl)anilino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl]-cyclopropylmethanone
PubChem CID66715213
Molecular FormulaC28H25Cl2N3O2
Molecular Weight506.43 g/mol
Exact Mass505.13
IUPAC Name[4-[4-(2-aminopropan-2-yl)anilino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl]-cyclopropylmethanone
SMILESCC(C)(N)c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)cc1
InChIInChI=1S/C28H25Cl2N3O2/c1-28(2,31)18-6-8-19(9-7-18)33-25-20-11-16(17-12-22(29)27(35)23(30)13-17)5-10-24(20)32-14-21(25)26(34)15-3-4-15/h5-15,35H,3-4,31H2,1-2H3,(H,32,33)
InChIKeyRTPRYXVITUNRNN-UHFFFAOYSA-N
XLogP7.44
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.43
LogP ≤ 57.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-[4-(2-aminopropan-2-yl)anilino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl]-cyclopropylmethanone 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 [4-[4-(2-aminopropan-2-yl)anilino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl]-cyclopropylmethanone?
The IUPAC name of [4-[4-(2-aminopropan-2-yl)anilino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl]-cyclopropylmethanone (CID 66715213) is [4-[4-(2-aminopropan-2-yl)anilino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[4-(2-aminopropan-2-yl)anilino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[4-(2-aminopropan-2-yl)anilino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl]-cyclopropylmethanone is CC(C)(N)c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)cc1.
What is the InChIKey of [4-[4-(2-aminopropan-2-yl)anilino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl]-cyclopropylmethanone?
The InChIKey is RTPRYXVITUNRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl2N3O2/c1-28(2,31)18-6-8-19(9-7-18)33-25-20-11-16(17-12-22(29)27(35)23(30)13-17)5-10-24(20)32-14-21(25)26(34)15-3-4-15/h5-15,35H,3-4,31H2,1-2H3,(H,32,33).
What are the key properties of [4-[4-(2-aminopropan-2-yl)anilino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl]-cyclopropylmethanone?
[4-[4-(2-aminopropan-2-yl)anilino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl]-cyclopropylmethanone has a molecular weight of 506.43 g/mol, XLogP of 7.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-aminopropan-2-yl)anilino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl]-cyclopropylmethanone is sourced from PubChem (CID 66715213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).