6-(2-methylphenyl)-3-[2-[5-(oxan-2-yl)-3-pyridinyl]ethyl]quinolin-2-amine

C28H29N3O — CID 53236161

IUPAC6-(2-methylphenyl)-3-[2-[5-(oxan-2-yl)-3-pyridinyl]ethyl]quinolin-2-amine
SMILESCc1ccccc1-c1ccc2nc(N)c(CCc3cncc(C4CCCCO4)c3)cc2c1
InChIInChI=1S/C28H29N3O/c1-19-6-2-3-7-25(19)21-11-12-26-23(15-21)16-22(28(29)31-26)10-9-20-14-24(18-30-17-20)27-8-4-5-13-32-27/h2-3,6-7,11-12,14-18,27H,4-5,8-10,13H2,1H3,(H2,29,31)
InChIKeySFNVHGQERMDDFT-UHFFFAOYSA-N
MW423.56 g/mol
LogP6.21
Rot. Bonds5

About 6-(2-methylphenyl)-3-[2-[5-(oxan-2-yl)-3-pyridinyl]ethyl]quinolin-2-amine

6-(2-methylphenyl)-3-[2-[5-(oxan-2-yl)-3-pyridinyl]ethyl]quinolin-2-amine (PubChem CID 53236161) has the molecular formula C28H29N3O and a molecular weight of 423.56 g/mol. Its IUPAC name is 6-(2-methylphenyl)-3-[2-[5-(oxan-2-yl)-3-pyridinyl]ethyl]quinolin-2-amine.

Molecular Properties

Compound Name6-(2-methylphenyl)-3-[2-[5-(oxan-2-yl)-3-pyridinyl]ethyl]quinolin-2-amine
PubChem CID53236161
Molecular FormulaC28H29N3O
Molecular Weight423.56 g/mol
Exact Mass423.23
IUPAC Name6-(2-methylphenyl)-3-[2-[5-(oxan-2-yl)-3-pyridinyl]ethyl]quinolin-2-amine
SMILESCc1ccccc1-c1ccc2nc(N)c(CCc3cncc(C4CCCCO4)c3)cc2c1
InChIInChI=1S/C28H29N3O/c1-19-6-2-3-7-25(19)21-11-12-26-23(15-21)16-22(28(29)31-26)10-9-20-14-24(18-30-17-20)27-8-4-5-13-32-27/h2-3,6-7,11-12,14-18,27H,4-5,8-10,13H2,1H3,(H2,29,31)
InChIKeySFNVHGQERMDDFT-UHFFFAOYSA-N
XLogP6.21
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-3-[2-[5-(oxan-2-yl)-3-pyridinyl]ethyl]quinolin-2-amine?
The IUPAC name of 6-(2-methylphenyl)-3-[2-[5-(oxan-2-yl)-3-pyridinyl]ethyl]quinolin-2-amine (CID 53236161) is 6-(2-methylphenyl)-3-[2-[5-(oxan-2-yl)-3-pyridinyl]ethyl]quinolin-2-amine.
What is the SMILES notation for 6-(2-methylphenyl)-3-[2-[5-(oxan-2-yl)-3-pyridinyl]ethyl]quinolin-2-amine?
The canonical SMILES for 6-(2-methylphenyl)-3-[2-[5-(oxan-2-yl)-3-pyridinyl]ethyl]quinolin-2-amine is Cc1ccccc1-c1ccc2nc(N)c(CCc3cncc(C4CCCCO4)c3)cc2c1.
What is the InChIKey of 6-(2-methylphenyl)-3-[2-[5-(oxan-2-yl)-3-pyridinyl]ethyl]quinolin-2-amine?
The InChIKey is SFNVHGQERMDDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O/c1-19-6-2-3-7-25(19)21-11-12-26-23(15-21)16-22(28(29)31-26)10-9-20-14-24(18-30-17-20)27-8-4-5-13-32-27/h2-3,6-7,11-12,14-18,27H,4-5,8-10,13H2,1H3,(H2,29,31).
What are the key properties of 6-(2-methylphenyl)-3-[2-[5-(oxan-2-yl)-3-pyridinyl]ethyl]quinolin-2-amine?
6-(2-methylphenyl)-3-[2-[5-(oxan-2-yl)-3-pyridinyl]ethyl]quinolin-2-amine has a molecular weight of 423.56 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-3-[2-[5-(oxan-2-yl)-3-pyridinyl]ethyl]quinolin-2-amine is sourced from PubChem (CID 53236161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).