[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-(piperidin-4-ylamino)quinolin-3-yl]-cyclopropylmethanone

C24H23ClFN3O2 — CID 66715206

IUPAC[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-(piperidin-4-ylamino)quinolin-3-yl]-cyclopropylmethanone
SMILESO=C(c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCNCC1)C1CC1
InChIInChI=1S/C24H23ClFN3O2/c25-19-10-15(11-20(26)24(19)31)14-3-4-21-17(9-14)22(29-16-5-7-27-8-6-16)18(12-28-21)23(30)13-1-2-13/h3-4,9-13,16,27,31H,1-2,5-8H2,(H,28,29)
InChIKeyKOMGKUKICCJBIR-UHFFFAOYSA-N
MW439.92 g/mol
LogP5.16
Rot. Bonds5

About [6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-(piperidin-4-ylamino)quinolin-3-yl]-cyclopropylmethanone

[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-(piperidin-4-ylamino)quinolin-3-yl]-cyclopropylmethanone (PubChem CID 66715206) has the molecular formula C24H23ClFN3O2 and a molecular weight of 439.92 g/mol. Its IUPAC name is [6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-(piperidin-4-ylamino)quinolin-3-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-(piperidin-4-ylamino)quinolin-3-yl]-cyclopropylmethanone
PubChem CID66715206
Molecular FormulaC24H23ClFN3O2
Molecular Weight439.92 g/mol
Exact Mass439.15
IUPAC Name[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-(piperidin-4-ylamino)quinolin-3-yl]-cyclopropylmethanone
SMILESO=C(c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCNCC1)C1CC1
InChIInChI=1S/C24H23ClFN3O2/c25-19-10-15(11-20(26)24(19)31)14-3-4-21-17(9-14)22(29-16-5-7-27-8-6-16)18(12-28-21)23(30)13-1-2-13/h3-4,9-13,16,27,31H,1-2,5-8H2,(H,28,29)
InChIKeyKOMGKUKICCJBIR-UHFFFAOYSA-N
XLogP5.16
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.92
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-(piperidin-4-ylamino)quinolin-3-yl]-cyclopropylmethanone?
The IUPAC name of [6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-(piperidin-4-ylamino)quinolin-3-yl]-cyclopropylmethanone (CID 66715206) is [6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-(piperidin-4-ylamino)quinolin-3-yl]-cyclopropylmethanone.
What is the SMILES notation for [6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-(piperidin-4-ylamino)quinolin-3-yl]-cyclopropylmethanone?
The canonical SMILES for [6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-(piperidin-4-ylamino)quinolin-3-yl]-cyclopropylmethanone is O=C(c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCNCC1)C1CC1.
What is the InChIKey of [6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-(piperidin-4-ylamino)quinolin-3-yl]-cyclopropylmethanone?
The InChIKey is KOMGKUKICCJBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O2/c25-19-10-15(11-20(26)24(19)31)14-3-4-21-17(9-14)22(29-16-5-7-27-8-6-16)18(12-28-21)23(30)13-1-2-13/h3-4,9-13,16,27,31H,1-2,5-8H2,(H,28,29).
What are the key properties of [6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-(piperidin-4-ylamino)quinolin-3-yl]-cyclopropylmethanone?
[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-(piperidin-4-ylamino)quinolin-3-yl]-cyclopropylmethanone has a molecular weight of 439.92 g/mol, XLogP of 5.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-(piperidin-4-ylamino)quinolin-3-yl]-cyclopropylmethanone is sourced from PubChem (CID 66715206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).