1-propan-2-yl-5-[5-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)hexan-2-yl]-3,4-dihydro-2H-quinoline

C30H44N2 — CID 135200255

IUPAC1-propan-2-yl-5-[5-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)hexan-2-yl]-3,4-dihydro-2H-quinoline
SMILESCC(C)c1ccc2c(c1)N(C(C)CCC(C)c1cccc3c1CCCN3C(C)C)CCC2
InChIInChI=1S/C30H44N2/c1-21(2)26-17-16-25-10-8-19-32(30(25)20-26)24(6)15-14-23(5)27-11-7-13-29-28(27)12-9-18-31(29)22(3)4/h7,11,13,16-17,20-24H,8-10,12,14-15,18-19H2,1-6H3
InChIKeyQHOFPXLTVNHJAB-UHFFFAOYSA-N
MW432.70 g/mol
LogP7.70
Rot. Bonds7

About 1-propan-2-yl-5-[5-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)hexan-2-yl]-3,4-dihydro-2H-quinoline

1-propan-2-yl-5-[5-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)hexan-2-yl]-3,4-dihydro-2H-quinoline (PubChem CID 135200255) has the molecular formula C30H44N2 and a molecular weight of 432.70 g/mol. Its IUPAC name is 1-propan-2-yl-5-[5-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)hexan-2-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-propan-2-yl-5-[5-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)hexan-2-yl]-3,4-dihydro-2H-quinoline
PubChem CID135200255
Molecular FormulaC30H44N2
Molecular Weight432.70 g/mol
Exact Mass432.35
IUPAC Name1-propan-2-yl-5-[5-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)hexan-2-yl]-3,4-dihydro-2H-quinoline
SMILESCC(C)c1ccc2c(c1)N(C(C)CCC(C)c1cccc3c1CCCN3C(C)C)CCC2
InChIInChI=1S/C30H44N2/c1-21(2)26-17-16-25-10-8-19-32(30(25)20-26)24(6)15-14-23(5)27-11-7-13-29-28(27)12-9-18-31(29)22(3)4/h7,11,13,16-17,20-24H,8-10,12,14-15,18-19H2,1-6H3
InChIKeyQHOFPXLTVNHJAB-UHFFFAOYSA-N
XLogP7.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.70
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-propan-2-yl-5-[5-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)hexan-2-yl]-3,4-dihydro-2H-quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-[5-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)hexan-2-yl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-propan-2-yl-5-[5-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)hexan-2-yl]-3,4-dihydro-2H-quinoline (CID 135200255) is 1-propan-2-yl-5-[5-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)hexan-2-yl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-propan-2-yl-5-[5-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)hexan-2-yl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-propan-2-yl-5-[5-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)hexan-2-yl]-3,4-dihydro-2H-quinoline is CC(C)c1ccc2c(c1)N(C(C)CCC(C)c1cccc3c1CCCN3C(C)C)CCC2.
What is the InChIKey of 1-propan-2-yl-5-[5-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)hexan-2-yl]-3,4-dihydro-2H-quinoline?
The InChIKey is QHOFPXLTVNHJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2/c1-21(2)26-17-16-25-10-8-19-32(30(25)20-26)24(6)15-14-23(5)27-11-7-13-29-28(27)12-9-18-31(29)22(3)4/h7,11,13,16-17,20-24H,8-10,12,14-15,18-19H2,1-6H3.
What are the key properties of 1-propan-2-yl-5-[5-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)hexan-2-yl]-3,4-dihydro-2H-quinoline?
1-propan-2-yl-5-[5-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)hexan-2-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 432.70 g/mol, XLogP of 7.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-[5-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)hexan-2-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 135200255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).