5-chloro-1,2,2,3-tetramethyl-6-quinolin-8-yl-3,4-dihydroquinoline

C22H23ClN2 — CID 69464829

IUPAC5-chloro-1,2,2,3-tetramethyl-6-quinolin-8-yl-3,4-dihydroquinoline
SMILESCC1Cc2c(ccc(-c3cccc4cccnc34)c2Cl)N(C)C1(C)C
InChIInChI=1S/C22H23ClN2/c1-14-13-18-19(25(4)22(14,2)3)11-10-16(20(18)23)17-9-5-7-15-8-6-12-24-21(15)17/h5-12,14H,13H2,1-4H3
InChIKeyZLIGRFKHMQIDKS-UHFFFAOYSA-N
MW350.89 g/mol
LogP5.96
Rot. Bonds1

About 5-chloro-1,2,2,3-tetramethyl-6-quinolin-8-yl-3,4-dihydroquinoline

5-chloro-1,2,2,3-tetramethyl-6-quinolin-8-yl-3,4-dihydroquinoline (PubChem CID 69464829) has the molecular formula C22H23ClN2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 5-chloro-1,2,2,3-tetramethyl-6-quinolin-8-yl-3,4-dihydroquinoline.

Molecular Properties

Compound Name5-chloro-1,2,2,3-tetramethyl-6-quinolin-8-yl-3,4-dihydroquinoline
PubChem CID69464829
Molecular FormulaC22H23ClN2
Molecular Weight350.89 g/mol
Exact Mass350.15
IUPAC Name5-chloro-1,2,2,3-tetramethyl-6-quinolin-8-yl-3,4-dihydroquinoline
SMILESCC1Cc2c(ccc(-c3cccc4cccnc34)c2Cl)N(C)C1(C)C
InChIInChI=1S/C22H23ClN2/c1-14-13-18-19(25(4)22(14,2)3)11-10-16(20(18)23)17-9-5-7-15-8-6-12-24-21(15)17/h5-12,14H,13H2,1-4H3
InChIKeyZLIGRFKHMQIDKS-UHFFFAOYSA-N
XLogP5.96
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.89
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,2,2,3-tetramethyl-6-quinolin-8-yl-3,4-dihydroquinoline?
The IUPAC name of 5-chloro-1,2,2,3-tetramethyl-6-quinolin-8-yl-3,4-dihydroquinoline (CID 69464829) is 5-chloro-1,2,2,3-tetramethyl-6-quinolin-8-yl-3,4-dihydroquinoline.
What is the SMILES notation for 5-chloro-1,2,2,3-tetramethyl-6-quinolin-8-yl-3,4-dihydroquinoline?
The canonical SMILES for 5-chloro-1,2,2,3-tetramethyl-6-quinolin-8-yl-3,4-dihydroquinoline is CC1Cc2c(ccc(-c3cccc4cccnc34)c2Cl)N(C)C1(C)C.
What is the InChIKey of 5-chloro-1,2,2,3-tetramethyl-6-quinolin-8-yl-3,4-dihydroquinoline?
The InChIKey is ZLIGRFKHMQIDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2/c1-14-13-18-19(25(4)22(14,2)3)11-10-16(20(18)23)17-9-5-7-15-8-6-12-24-21(15)17/h5-12,14H,13H2,1-4H3.
What are the key properties of 5-chloro-1,2,2,3-tetramethyl-6-quinolin-8-yl-3,4-dihydroquinoline?
5-chloro-1,2,2,3-tetramethyl-6-quinolin-8-yl-3,4-dihydroquinoline has a molecular weight of 350.89 g/mol, XLogP of 5.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2,2,3-tetramethyl-6-quinolin-8-yl-3,4-dihydroquinoline is sourced from PubChem (CID 69464829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).