8-chloro-6-[5-[(4-chloro-3-fluorophenyl)methyl]cyclopenta-1,3-dien-1-yl]-3-(1H-indazol-6-yl)-3,4-dihydroquinoline

C28H20Cl2FN3 — CID 146433588

IUPAC8-chloro-6-[5-[(4-chloro-3-fluorophenyl)methyl]cyclopenta-1,3-dien-1-yl]-3-(1H-indazol-6-yl)-3,4-dihydroquinoline
SMILESFc1cc(CC2C=CC=C2c2cc(Cl)c3c(c2)CC(c2ccc4cn[nH]c4c2)C=N3)ccc1Cl
InChIInChI=1S/C28H20Cl2FN3/c29-24-7-4-16(9-26(24)31)8-18-2-1-3-23(18)20-10-21-11-22(14-32-28(21)25(30)12-20)17-5-6-19-15-33-34-27(19)13-17/h1-7,9-10,12-15,18,22H,8,11H2,(H,33,34)
InChIKeyREGVRZKWIFRROK-UHFFFAOYSA-N
MW488.39 g/mol
LogP7.86
Rot. Bonds4

About 8-chloro-6-[5-[(4-chloro-3-fluorophenyl)methyl]cyclopenta-1,3-dien-1-yl]-3-(1H-indazol-6-yl)-3,4-dihydroquinoline

8-chloro-6-[5-[(4-chloro-3-fluorophenyl)methyl]cyclopenta-1,3-dien-1-yl]-3-(1H-indazol-6-yl)-3,4-dihydroquinoline (PubChem CID 146433588) has the molecular formula C28H20Cl2FN3 and a molecular weight of 488.39 g/mol. Its IUPAC name is 8-chloro-6-[5-[(4-chloro-3-fluorophenyl)methyl]cyclopenta-1,3-dien-1-yl]-3-(1H-indazol-6-yl)-3,4-dihydroquinoline.

Molecular Properties

Compound Name8-chloro-6-[5-[(4-chloro-3-fluorophenyl)methyl]cyclopenta-1,3-dien-1-yl]-3-(1H-indazol-6-yl)-3,4-dihydroquinoline
PubChem CID146433588
Molecular FormulaC28H20Cl2FN3
Molecular Weight488.39 g/mol
Exact Mass487.10
IUPAC Name8-chloro-6-[5-[(4-chloro-3-fluorophenyl)methyl]cyclopenta-1,3-dien-1-yl]-3-(1H-indazol-6-yl)-3,4-dihydroquinoline
SMILESFc1cc(CC2C=CC=C2c2cc(Cl)c3c(c2)CC(c2ccc4cn[nH]c4c2)C=N3)ccc1Cl
InChIInChI=1S/C28H20Cl2FN3/c29-24-7-4-16(9-26(24)31)8-18-2-1-3-23(18)20-10-21-11-22(14-32-28(21)25(30)12-20)17-5-6-19-15-33-34-27(19)13-17/h1-7,9-10,12-15,18,22H,8,11H2,(H,33,34)
InChIKeyREGVRZKWIFRROK-UHFFFAOYSA-N
XLogP7.86
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.39
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-[5-[(4-chloro-3-fluorophenyl)methyl]cyclopenta-1,3-dien-1-yl]-3-(1H-indazol-6-yl)-3,4-dihydroquinoline?
The IUPAC name of 8-chloro-6-[5-[(4-chloro-3-fluorophenyl)methyl]cyclopenta-1,3-dien-1-yl]-3-(1H-indazol-6-yl)-3,4-dihydroquinoline (CID 146433588) is 8-chloro-6-[5-[(4-chloro-3-fluorophenyl)methyl]cyclopenta-1,3-dien-1-yl]-3-(1H-indazol-6-yl)-3,4-dihydroquinoline.
What is the SMILES notation for 8-chloro-6-[5-[(4-chloro-3-fluorophenyl)methyl]cyclopenta-1,3-dien-1-yl]-3-(1H-indazol-6-yl)-3,4-dihydroquinoline?
The canonical SMILES for 8-chloro-6-[5-[(4-chloro-3-fluorophenyl)methyl]cyclopenta-1,3-dien-1-yl]-3-(1H-indazol-6-yl)-3,4-dihydroquinoline is Fc1cc(CC2C=CC=C2c2cc(Cl)c3c(c2)CC(c2ccc4cn[nH]c4c2)C=N3)ccc1Cl.
What is the InChIKey of 8-chloro-6-[5-[(4-chloro-3-fluorophenyl)methyl]cyclopenta-1,3-dien-1-yl]-3-(1H-indazol-6-yl)-3,4-dihydroquinoline?
The InChIKey is REGVRZKWIFRROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl2FN3/c29-24-7-4-16(9-26(24)31)8-18-2-1-3-23(18)20-10-21-11-22(14-32-28(21)25(30)12-20)17-5-6-19-15-33-34-27(19)13-17/h1-7,9-10,12-15,18,22H,8,11H2,(H,33,34).
What are the key properties of 8-chloro-6-[5-[(4-chloro-3-fluorophenyl)methyl]cyclopenta-1,3-dien-1-yl]-3-(1H-indazol-6-yl)-3,4-dihydroquinoline?
8-chloro-6-[5-[(4-chloro-3-fluorophenyl)methyl]cyclopenta-1,3-dien-1-yl]-3-(1H-indazol-6-yl)-3,4-dihydroquinoline has a molecular weight of 488.39 g/mol, XLogP of 7.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-[5-[(4-chloro-3-fluorophenyl)methyl]cyclopenta-1,3-dien-1-yl]-3-(1H-indazol-6-yl)-3,4-dihydroquinoline is sourced from PubChem (CID 146433588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).