N-methyl-N-(2-methylquinolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine

C22H21N3O — CID 166627040

IUPACN-methyl-N-(2-methylquinolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine
SMILESCc1cc(N(C)c2ccc3c(c2)cc2n3CCOC2)c2ccccc2n1
InChIInChI=1S/C22H21N3O/c1-15-11-22(19-5-3-4-6-20(19)23-15)24(2)17-7-8-21-16(12-17)13-18-14-26-10-9-25(18)21/h3-8,11-13H,9-10,14H2,1-2H3
InChIKeyVPLSZNDWXDQISN-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.80
Rot. Bonds2

About N-methyl-N-(2-methylquinolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine

N-methyl-N-(2-methylquinolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine (PubChem CID 166627040) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is N-methyl-N-(2-methylquinolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylquinolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine
PubChem CID166627040
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC NameN-methyl-N-(2-methylquinolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine
SMILESCc1cc(N(C)c2ccc3c(c2)cc2n3CCOC2)c2ccccc2n1
InChIInChI=1S/C22H21N3O/c1-15-11-22(19-5-3-4-6-20(19)23-15)24(2)17-7-8-21-16(12-17)13-18-14-26-10-9-25(18)21/h3-8,11-13H,9-10,14H2,1-2H3
InChIKeyVPLSZNDWXDQISN-UHFFFAOYSA-N
XLogP4.80
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylquinolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine?
The IUPAC name of N-methyl-N-(2-methylquinolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine (CID 166627040) is N-methyl-N-(2-methylquinolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine.
What is the SMILES notation for N-methyl-N-(2-methylquinolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine?
The canonical SMILES for N-methyl-N-(2-methylquinolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine is Cc1cc(N(C)c2ccc3c(c2)cc2n3CCOC2)c2ccccc2n1.
What is the InChIKey of N-methyl-N-(2-methylquinolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine?
The InChIKey is VPLSZNDWXDQISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-15-11-22(19-5-3-4-6-20(19)23-15)24(2)17-7-8-21-16(12-17)13-18-14-26-10-9-25(18)21/h3-8,11-13H,9-10,14H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylquinolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine?
N-methyl-N-(2-methylquinolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine has a molecular weight of 343.43 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylquinolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine is sourced from PubChem (CID 166627040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).