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

C26H30N4O2 — CID 125009206

IUPAC(2-morpholin-4-yl-4-pyridinyl)-[(4R)-4-(quinolin-4-ylmethyl)azepan-1-yl]methanone
SMILESO=C(c1ccnc(N2CCOCC2)c1)N1CCC[C@H](Cc2ccnc3ccccc23)CC1
InChIInChI=1S/C26H30N4O2/c31-26(22-8-11-28-25(19-22)29-14-16-32-17-15-29)30-12-3-4-20(9-13-30)18-21-7-10-27-24-6-2-1-5-23(21)24/h1-2,5-8,10-11,19-20H,3-4,9,12-18H2/t20-/m0/s1
InChIKeyVARKSMSFZYGMQR-FQEVSTJZSA-N
MW430.55 g/mol
LogP3.95
Rot. Bonds4

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

(2-morpholin-4-yl-4-pyridinyl)-[(4R)-4-(quinolin-4-ylmethyl)azepan-1-yl]methanone (PubChem CID 125009206) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is (2-morpholin-4-yl-4-pyridinyl)-[(4R)-4-(quinolin-4-ylmethyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name(2-morpholin-4-yl-4-pyridinyl)-[(4R)-4-(quinolin-4-ylmethyl)azepan-1-yl]methanone
PubChem CID125009206
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name(2-morpholin-4-yl-4-pyridinyl)-[(4R)-4-(quinolin-4-ylmethyl)azepan-1-yl]methanone
SMILESO=C(c1ccnc(N2CCOCC2)c1)N1CCC[C@H](Cc2ccnc3ccccc23)CC1
InChIInChI=1S/C26H30N4O2/c31-26(22-8-11-28-25(19-22)29-14-16-32-17-15-29)30-12-3-4-20(9-13-30)18-21-7-10-27-24-6-2-1-5-23(21)24/h1-2,5-8,10-11,19-20H,3-4,9,12-18H2/t20-/m0/s1
InChIKeyVARKSMSFZYGMQR-FQEVSTJZSA-N
XLogP3.95
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone
CID 110149354
1-methyl-N-[3-[4-(quinolin-4-ylmethyl)azepane-1-carbonyl]phenyl]pyrazole-4-carboxamide
CID 132779869
pyridazin-4-yl-[(4S)-4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
CID 125000665
1-[2-[3-[4-(quinolin-4-ylmethyl)azepane-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 110150268
pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124970603
pyridazin-3-yl-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110090995
pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124950383
4-[2-(4-benzylpiperidin-1-yl)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168855
[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166154
(5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
CID 110111851
(2-methylpyrimidin-5-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124966364
(3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 110149381

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-4-pyridinyl)-[(4R)-4-(quinolin-4-ylmethyl)azepan-1-yl]methanone?
The IUPAC name of (2-morpholin-4-yl-4-pyridinyl)-[(4R)-4-(quinolin-4-ylmethyl)azepan-1-yl]methanone (CID 125009206) is (2-morpholin-4-yl-4-pyridinyl)-[(4R)-4-(quinolin-4-ylmethyl)azepan-1-yl]methanone.
What is the SMILES notation for (2-morpholin-4-yl-4-pyridinyl)-[(4R)-4-(quinolin-4-ylmethyl)azepan-1-yl]methanone?
The canonical SMILES for (2-morpholin-4-yl-4-pyridinyl)-[(4R)-4-(quinolin-4-ylmethyl)azepan-1-yl]methanone is O=C(c1ccnc(N2CCOCC2)c1)N1CCC[C@H](Cc2ccnc3ccccc23)CC1.
What is the InChIKey of (2-morpholin-4-yl-4-pyridinyl)-[(4R)-4-(quinolin-4-ylmethyl)azepan-1-yl]methanone?
The InChIKey is VARKSMSFZYGMQR-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H30N4O2/c31-26(22-8-11-28-25(19-22)29-14-16-32-17-15-29)30-12-3-4-20(9-13-30)18-21-7-10-27-24-6-2-1-5-23(21)24/h1-2,5-8,10-11,19-20H,3-4,9,12-18H2/t20-/m0/s1.
What are the key properties of (2-morpholin-4-yl-4-pyridinyl)-[(4R)-4-(quinolin-4-ylmethyl)azepan-1-yl]methanone?
(2-morpholin-4-yl-4-pyridinyl)-[(4R)-4-(quinolin-4-ylmethyl)azepan-1-yl]methanone has a molecular weight of 430.55 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-4-pyridinyl)-[(4R)-4-(quinolin-4-ylmethyl)azepan-1-yl]methanone is sourced from PubChem (CID 125009206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).