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

C27H26N4O2 — CID 123721880

IUPAC6-[2-methyl-6-[nitroso(phenyl)methyl]phenyl]-3-morpholin-4-ylquinolin-2-amine
SMILESCc1cccc(C(N=O)c2ccccc2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C27H26N4O2/c1-18-6-5-9-22(26(30-32)19-7-3-2-4-8-19)25(18)20-10-11-23-21(16-20)17-24(27(28)29-23)31-12-14-33-15-13-31/h2-11,16-17,26H,12-15H2,1H3,(H2,28,29)
InChIKeyMVWODQMMESUKET-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.48
Rot. Bonds5

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

6-[2-methyl-6-[nitroso(phenyl)methyl]phenyl]-3-morpholin-4-ylquinolin-2-amine (PubChem CID 123721880) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 6-[2-methyl-6-[nitroso(phenyl)methyl]phenyl]-3-morpholin-4-ylquinolin-2-amine.

Molecular Properties

Compound Name6-[2-methyl-6-[nitroso(phenyl)methyl]phenyl]-3-morpholin-4-ylquinolin-2-amine
PubChem CID123721880
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name6-[2-methyl-6-[nitroso(phenyl)methyl]phenyl]-3-morpholin-4-ylquinolin-2-amine
SMILESCc1cccc(C(N=O)c2ccccc2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C27H26N4O2/c1-18-6-5-9-22(26(30-32)19-7-3-2-4-8-19)25(18)20-10-11-23-21(16-20)17-24(27(28)29-23)31-12-14-33-15-13-31/h2-11,16-17,26H,12-15H2,1H3,(H2,28,29)
InChIKeyMVWODQMMESUKET-UHFFFAOYSA-N
XLogP5.48
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.48
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-[nitroso(phenyl)methyl]phenyl]-3-morpholin-4-ylquinolin-2-amine?
The IUPAC name of 6-[2-methyl-6-[nitroso(phenyl)methyl]phenyl]-3-morpholin-4-ylquinolin-2-amine (CID 123721880) is 6-[2-methyl-6-[nitroso(phenyl)methyl]phenyl]-3-morpholin-4-ylquinolin-2-amine.
What is the SMILES notation for 6-[2-methyl-6-[nitroso(phenyl)methyl]phenyl]-3-morpholin-4-ylquinolin-2-amine?
The canonical SMILES for 6-[2-methyl-6-[nitroso(phenyl)methyl]phenyl]-3-morpholin-4-ylquinolin-2-amine is Cc1cccc(C(N=O)c2ccccc2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1.
What is the InChIKey of 6-[2-methyl-6-[nitroso(phenyl)methyl]phenyl]-3-morpholin-4-ylquinolin-2-amine?
The InChIKey is MVWODQMMESUKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-18-6-5-9-22(26(30-32)19-7-3-2-4-8-19)25(18)20-10-11-23-21(16-20)17-24(27(28)29-23)31-12-14-33-15-13-31/h2-11,16-17,26H,12-15H2,1H3,(H2,28,29).
What are the key properties of 6-[2-methyl-6-[nitroso(phenyl)methyl]phenyl]-3-morpholin-4-ylquinolin-2-amine?
6-[2-methyl-6-[nitroso(phenyl)methyl]phenyl]-3-morpholin-4-ylquinolin-2-amine has a molecular weight of 438.53 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-6-[nitroso(phenyl)methyl]phenyl]-3-morpholin-4-ylquinolin-2-amine is sourced from PubChem (CID 123721880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).