1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine

C23H26N4O3 — CID 162892761

IUPAC1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine
SMILESCc1cccc(CNCC2Cn3cc(-c4ccc5c(c4)OCCCO5)nc3CO2)n1
InChIInChI=1S/C23H26N4O3/c1-16-4-2-5-18(25-16)11-24-12-19-13-27-14-20(26-23(27)15-30-19)17-6-7-21-22(10-17)29-9-3-8-28-21/h2,4-7,10,14,19,24H,3,8-9,11-13,15H2,1H3
InChIKeySUDHFWBLLFLBJD-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.10
Rot. Bonds5

About 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine

1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine (PubChem CID 162892761) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine
PubChem CID162892761
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine
SMILESCc1cccc(CNCC2Cn3cc(-c4ccc5c(c4)OCCCO5)nc3CO2)n1
InChIInChI=1S/C23H26N4O3/c1-16-4-2-5-18(25-16)11-24-12-19-13-27-14-20(26-23(27)15-30-19)17-6-7-21-22(10-17)29-9-3-8-28-21/h2,4-7,10,14,19,24H,3,8-9,11-13,15H2,1H3
InChIKeySUDHFWBLLFLBJD-UHFFFAOYSA-N
XLogP3.10
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine with MolForge

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Related Compounds

N-[[(6S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-fluorobenzamide
CID 75367283
N-[(1-methylindol-3-yl)methyl]-1-[2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
CID 162798839
N-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine
CID 60984970
1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 75411300
N-[(4-chlorophenyl)methyl]-1-(2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl)methanamine
CID 162798270
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
CID 90367961
N-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 124542980
N-[4-[[[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]methyl]phenyl]acetamide
CID 75367354
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 63034722
1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 75367589
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]methyl]methanamine
CID 124545865
4-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclohexan-1-ol
CID 106133296

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine (CID 162892761) is 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine is Cc1cccc(CNCC2Cn3cc(-c4ccc5c(c4)OCCCO5)nc3CO2)n1.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine?
The InChIKey is SUDHFWBLLFLBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16-4-2-5-18(25-16)11-24-12-19-13-27-14-20(26-23(27)15-30-19)17-6-7-21-22(10-17)29-9-3-8-28-21/h2,4-7,10,14,19,24H,3,8-9,11-13,15H2,1H3.
What are the key properties of 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine?
1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine has a molecular weight of 406.49 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 162892761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).