6-[2-methyl-6-(oxolan-3-yloxy)phenyl]-3-morpholin-4-ylquinolin-2-amine

C24H27N3O3 — CID 53329890

IUPAC6-[2-methyl-6-(oxolan-3-yloxy)phenyl]-3-morpholin-4-ylquinolin-2-amine
SMILESCc1cccc(OC2CCOC2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C24H27N3O3/c1-16-3-2-4-22(30-19-7-10-29-15-19)23(16)17-5-6-20-18(13-17)14-21(24(25)26-20)27-8-11-28-12-9-27/h2-6,13-14,19H,7-12,15H2,1H3,(H2,25,26)
InChIKeyGZGPYCZWISFCPN-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.80
Rot. Bonds4

About 6-[2-methyl-6-(oxolan-3-yloxy)phenyl]-3-morpholin-4-ylquinolin-2-amine

6-[2-methyl-6-(oxolan-3-yloxy)phenyl]-3-morpholin-4-ylquinolin-2-amine (PubChem CID 53329890) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 6-[2-methyl-6-(oxolan-3-yloxy)phenyl]-3-morpholin-4-ylquinolin-2-amine.

Molecular Properties

Compound Name6-[2-methyl-6-(oxolan-3-yloxy)phenyl]-3-morpholin-4-ylquinolin-2-amine
PubChem CID53329890
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name6-[2-methyl-6-(oxolan-3-yloxy)phenyl]-3-morpholin-4-ylquinolin-2-amine
SMILESCc1cccc(OC2CCOC2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C24H27N3O3/c1-16-3-2-4-22(30-19-7-10-29-15-19)23(16)17-5-6-20-18(13-17)14-21(24(25)26-20)27-8-11-28-12-9-27/h2-6,13-14,19H,7-12,15H2,1H3,(H2,25,26)
InChIKeyGZGPYCZWISFCPN-UHFFFAOYSA-N
XLogP3.80
TPSA69.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-6-(oxolan-3-yloxy)phenyl]-3-morpholin-4-ylquinolin-2-amine?
The IUPAC name of 6-[2-methyl-6-(oxolan-3-yloxy)phenyl]-3-morpholin-4-ylquinolin-2-amine (CID 53329890) is 6-[2-methyl-6-(oxolan-3-yloxy)phenyl]-3-morpholin-4-ylquinolin-2-amine.
What is the SMILES notation for 6-[2-methyl-6-(oxolan-3-yloxy)phenyl]-3-morpholin-4-ylquinolin-2-amine?
The canonical SMILES for 6-[2-methyl-6-(oxolan-3-yloxy)phenyl]-3-morpholin-4-ylquinolin-2-amine is Cc1cccc(OC2CCOC2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1.
What is the InChIKey of 6-[2-methyl-6-(oxolan-3-yloxy)phenyl]-3-morpholin-4-ylquinolin-2-amine?
The InChIKey is GZGPYCZWISFCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16-3-2-4-22(30-19-7-10-29-15-19)23(16)17-5-6-20-18(13-17)14-21(24(25)26-20)27-8-11-28-12-9-27/h2-6,13-14,19H,7-12,15H2,1H3,(H2,25,26).
What are the key properties of 6-[2-methyl-6-(oxolan-3-yloxy)phenyl]-3-morpholin-4-ylquinolin-2-amine?
6-[2-methyl-6-(oxolan-3-yloxy)phenyl]-3-morpholin-4-ylquinolin-2-amine has a molecular weight of 405.50 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-6-(oxolan-3-yloxy)phenyl]-3-morpholin-4-ylquinolin-2-amine is sourced from PubChem (CID 53329890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).