6-methyl-6-[3-(quinolin-8-ylamino)phenyl]morpholin-2-amine

C20H22N4O — CID 70556298

IUPAC6-methyl-6-[3-(quinolin-8-ylamino)phenyl]morpholin-2-amine
SMILESCC1(c2cccc(Nc3cccc4cccnc34)c2)CNCC(N)O1
InChIInChI=1S/C20H22N4O/c1-20(13-22-12-18(21)25-20)15-7-3-8-16(11-15)24-17-9-2-5-14-6-4-10-23-19(14)17/h2-11,18,22,24H,12-13,21H2,1H3
InChIKeyFYJCSXIBLIKPOW-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.10
Rot. Bonds3

About 6-methyl-6-[3-(quinolin-8-ylamino)phenyl]morpholin-2-amine

6-methyl-6-[3-(quinolin-8-ylamino)phenyl]morpholin-2-amine (PubChem CID 70556298) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-methyl-6-[3-(quinolin-8-ylamino)phenyl]morpholin-2-amine.

Molecular Properties

Compound Name6-methyl-6-[3-(quinolin-8-ylamino)phenyl]morpholin-2-amine
PubChem CID70556298
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name6-methyl-6-[3-(quinolin-8-ylamino)phenyl]morpholin-2-amine
SMILESCC1(c2cccc(Nc3cccc4cccnc34)c2)CNCC(N)O1
InChIInChI=1S/C20H22N4O/c1-20(13-22-12-18(21)25-20)15-7-3-8-16(11-15)24-17-9-2-5-14-6-4-10-23-19(14)17/h2-11,18,22,24H,12-13,21H2,1H3
InChIKeyFYJCSXIBLIKPOW-UHFFFAOYSA-N
XLogP3.10
TPSA72.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-[3-(quinolin-8-ylamino)phenyl]morpholin-2-amine?
The IUPAC name of 6-methyl-6-[3-(quinolin-8-ylamino)phenyl]morpholin-2-amine (CID 70556298) is 6-methyl-6-[3-(quinolin-8-ylamino)phenyl]morpholin-2-amine.
What is the SMILES notation for 6-methyl-6-[3-(quinolin-8-ylamino)phenyl]morpholin-2-amine?
The canonical SMILES for 6-methyl-6-[3-(quinolin-8-ylamino)phenyl]morpholin-2-amine is CC1(c2cccc(Nc3cccc4cccnc34)c2)CNCC(N)O1.
What is the InChIKey of 6-methyl-6-[3-(quinolin-8-ylamino)phenyl]morpholin-2-amine?
The InChIKey is FYJCSXIBLIKPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-20(13-22-12-18(21)25-20)15-7-3-8-16(11-15)24-17-9-2-5-14-6-4-10-23-19(14)17/h2-11,18,22,24H,12-13,21H2,1H3.
What are the key properties of 6-methyl-6-[3-(quinolin-8-ylamino)phenyl]morpholin-2-amine?
6-methyl-6-[3-(quinolin-8-ylamino)phenyl]morpholin-2-amine has a molecular weight of 334.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-[3-(quinolin-8-ylamino)phenyl]morpholin-2-amine is sourced from PubChem (CID 70556298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).