[2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone

C28H33N3O2 — CID 110149354

IUPAC[2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone
SMILESO=C(c1ccccc1CN1CCOCC1)N1CCCC(Cc2ccnc3ccccc23)CC1
InChIInChI=1S/C28H33N3O2/c32-28(26-9-2-1-7-24(26)21-30-16-18-33-19-17-30)31-14-5-6-22(12-15-31)20-23-11-13-29-27-10-4-3-8-25(23)27/h1-4,7-11,13,22H,5-6,12,14-21H2
InChIKeyQTQVBORHCNXPQK-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.55
Rot. Bonds5

About [2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone

[2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone (PubChem CID 110149354) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is [2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name[2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone
PubChem CID110149354
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Name[2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone
SMILESO=C(c1ccccc1CN1CCOCC1)N1CCCC(Cc2ccnc3ccccc23)CC1
InChIInChI=1S/C28H33N3O2/c32-28(26-9-2-1-7-24(26)21-30-16-18-33-19-17-30)31-14-5-6-22(12-15-31)20-23-11-13-29-27-10-4-3-8-25(23)27/h1-4,7-11,13,22H,5-6,12,14-21H2
InChIKeyQTQVBORHCNXPQK-UHFFFAOYSA-N
XLogP4.55
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone with MolForge

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Related Compounds

[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
CID 124986654
(2-morpholin-4-yl-4-pyridinyl)-[(4R)-4-(quinolin-4-ylmethyl)azepan-1-yl]methanone
CID 125009206
(2-methoxy-3-pyridinyl)-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110090461
morpholin-4-yl-[5-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 110082993
pyridazin-4-yl-[(4S)-4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
CID 125000665
pyridazin-3-yl-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110090995
(5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
CID 110111851
1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110098808
(1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 125020810
(1-methylimidazol-4-yl)-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110098868
[2-(morpholin-4-ylmethyl)phenyl]-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]methanone
CID 99814762
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
CID 132767471

Frequently Asked Questions

What is the IUPAC name of [2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone?
The IUPAC name of [2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone (CID 110149354) is [2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone.
What is the SMILES notation for [2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone?
The canonical SMILES for [2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone is O=C(c1ccccc1CN1CCOCC1)N1CCCC(Cc2ccnc3ccccc23)CC1.
What is the InChIKey of [2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone?
The InChIKey is QTQVBORHCNXPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c32-28(26-9-2-1-7-24(26)21-30-16-18-33-19-17-30)31-14-5-6-22(12-15-31)20-23-11-13-29-27-10-4-3-8-25(23)27/h1-4,7-11,13,22H,5-6,12,14-21H2.
What are the key properties of [2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone?
[2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone has a molecular weight of 443.59 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone is sourced from PubChem (CID 110149354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).