4-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]-2,3-dihydro-1,4-benzoxazine

C25H26N2O3 — CID 142182808

IUPAC4-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]-2,3-dihydro-1,4-benzoxazine
SMILESCOc1ccc(N2CCC(N3CCOc4ccccc43)c3ccccc32)cc1OC
InChIInChI=1S/C25H26N2O3/c1-28-24-12-11-18(17-25(24)29-2)26-14-13-21(19-7-3-4-8-20(19)26)27-15-16-30-23-10-6-5-9-22(23)27/h3-12,17,21H,13-16H2,1-2H3
InChIKeyFMRBIJQTPMMPRL-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.19
Rot. Bonds4

About 4-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]-2,3-dihydro-1,4-benzoxazine

4-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]-2,3-dihydro-1,4-benzoxazine (PubChem CID 142182808) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 4-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]-2,3-dihydro-1,4-benzoxazine
PubChem CID142182808
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name4-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]-2,3-dihydro-1,4-benzoxazine
SMILESCOc1ccc(N2CCC(N3CCOc4ccccc43)c3ccccc32)cc1OC
InChIInChI=1S/C25H26N2O3/c1-28-24-12-11-18(17-25(24)29-2)26-14-13-21(19-7-3-4-8-20(19)26)27-15-16-30-23-10-6-5-9-22(23)27/h3-12,17,21H,13-16H2,1-2H3
InChIKeyFMRBIJQTPMMPRL-UHFFFAOYSA-N
XLogP5.19
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]-2,3-dihydro-1,4-benzoxazine with MolForge

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Related Compounds

1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethoxyphenyl)propan-1-one
CID 32612143
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521341
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 67087721
5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-2-methoxyaniline
CID 71493050
4-(4,5-dimethoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 39329827
4-(2,3-dihydroindol-1-yl)-2-methoxyaniline
CID 63672438
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 15425916
2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 68843498
4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-2-methoxyphenol
CID 117219975
4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 5301680
4-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007469
4-(3-bromophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007491

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]-2,3-dihydro-1,4-benzoxazine (CID 142182808) is 4-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]-2,3-dihydro-1,4-benzoxazine is COc1ccc(N2CCC(N3CCOc4ccccc43)c3ccccc32)cc1OC.
What is the InChIKey of 4-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]-2,3-dihydro-1,4-benzoxazine?
The InChIKey is FMRBIJQTPMMPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-28-24-12-11-18(17-25(24)29-2)26-14-13-21(19-7-3-4-8-20(19)26)27-15-16-30-23-10-6-5-9-22(23)27/h3-12,17,21H,13-16H2,1-2H3.
What are the key properties of 4-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]-2,3-dihydro-1,4-benzoxazine?
4-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]-2,3-dihydro-1,4-benzoxazine has a molecular weight of 402.49 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 142182808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).