2-(11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinolin-3-yl)-1-morpholin-4-ylethanone

C20H25N3O2 — CID 158645776

IUPAC2-(11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinolin-3-yl)-1-morpholin-4-ylethanone
SMILESCc1c2c(nc3ccccc13)CCN(CC(=O)N1CCOCC1)CC2
InChIInChI=1S/C20H25N3O2/c1-15-16-4-2-3-5-18(16)21-19-7-9-22(8-6-17(15)19)14-20(24)23-10-12-25-13-11-23/h2-5H,6-14H2,1H3
InChIKeyBFAQUFVIWZXFSQ-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.80
Rot. Bonds2

About 2-(11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinolin-3-yl)-1-morpholin-4-ylethanone

2-(11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinolin-3-yl)-1-morpholin-4-ylethanone (PubChem CID 158645776) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinolin-3-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinolin-3-yl)-1-morpholin-4-ylethanone
PubChem CID158645776
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinolin-3-yl)-1-morpholin-4-ylethanone
SMILESCc1c2c(nc3ccccc13)CCN(CC(=O)N1CCOCC1)CC2
InChIInChI=1S/C20H25N3O2/c1-15-16-4-2-3-5-18(16)21-19-7-9-22(8-6-17(15)19)14-20(24)23-10-12-25-13-11-23/h2-5H,6-14H2,1H3
InChIKeyBFAQUFVIWZXFSQ-UHFFFAOYSA-N
XLogP1.80
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinolin-3-yl)-1-morpholin-4-ylethanone with MolForge

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Related Compounds

1-morpholin-4-yl-2-[4-[(4-phenylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone
CID 37269145
morpholin-4-yl(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-yl)methanone
CID 58440618
1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000579
1-morpholin-4-yl-2-(4-quinolin-4-ylpiperazin-1-yl)ethanone
CID 75370496
2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-[16-(quinolin-2-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 11535329
1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 47014088
1-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 52660719
3-benzhydryl-2-methyl-7-(2-morpholin-4-ylacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 59415182
2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 55496523
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 1439327
2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55448995
2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120594799

Frequently Asked Questions

What is the IUPAC name of 2-(11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinolin-3-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinolin-3-yl)-1-morpholin-4-ylethanone (CID 158645776) is 2-(11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinolin-3-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinolin-3-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinolin-3-yl)-1-morpholin-4-ylethanone is Cc1c2c(nc3ccccc13)CCN(CC(=O)N1CCOCC1)CC2.
What is the InChIKey of 2-(11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinolin-3-yl)-1-morpholin-4-ylethanone?
The InChIKey is BFAQUFVIWZXFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-16-4-2-3-5-18(16)21-19-7-9-22(8-6-17(15)19)14-20(24)23-10-12-25-13-11-23/h2-5H,6-14H2,1H3.
What are the key properties of 2-(11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinolin-3-yl)-1-morpholin-4-ylethanone?
2-(11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinolin-3-yl)-1-morpholin-4-ylethanone has a molecular weight of 339.44 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinolin-3-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 158645776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).