[(2S)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone

C25H27N5O3 — CID 92638221

IUPAC[(2S)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone
SMILESCN1CCN(C(=O)c2cc([C@@H]3CN(C(=O)c4ccncc4)CCO3)nc3ccccc23)CC1
InChIInChI=1S/C25H27N5O3/c1-28-10-12-29(13-11-28)25(32)20-16-22(27-21-5-3-2-4-19(20)21)23-17-30(14-15-33-23)24(31)18-6-8-26-9-7-18/h2-9,16,23H,10-15,17H2,1H3/t23-/m0/s1
InChIKeyKZEJBBKRIOOAMY-QHCPKHFHSA-N
MW445.52 g/mol
LogP2.23
Rot. Bonds3

About [(2S)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone

[(2S)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone (PubChem CID 92638221) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is [(2S)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone
PubChem CID92638221
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name[(2S)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone
SMILESCN1CCN(C(=O)c2cc([C@@H]3CN(C(=O)c4ccncc4)CCO3)nc3ccccc23)CC1
InChIInChI=1S/C25H27N5O3/c1-28-10-12-29(13-11-28)25(32)20-16-22(27-21-5-3-2-4-19(20)21)23-17-30(14-15-33-23)24(31)18-6-8-26-9-7-18/h2-9,16,23H,10-15,17H2,1H3/t23-/m0/s1
InChIKeyKZEJBBKRIOOAMY-QHCPKHFHSA-N
XLogP2.23
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

[(2R)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 92639213
[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]-phenylmethanone
CID 110251818
N-propan-2-yl-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638218
N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636667
1-[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]ethanone
CID 110251795
(2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 42653328
2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638264
morpholin-4-yl-[2-[(2S)-4-propylmorpholin-2-yl]quinolin-4-yl]methanone
CID 92639103
2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638905
N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 95815271
N-methyl-2-[4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 110251792
[(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 97279020

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(2S)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone (CID 92638221) is [(2S)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(2S)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(2S)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone is CN1CCN(C(=O)c2cc([C@@H]3CN(C(=O)c4ccncc4)CCO3)nc3ccccc23)CC1.
What is the InChIKey of [(2S)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone?
The InChIKey is KZEJBBKRIOOAMY-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-28-10-12-29(13-11-28)25(32)20-16-22(27-21-5-3-2-4-19(20)21)23-17-30(14-15-33-23)24(31)18-6-8-26-9-7-18/h2-9,16,23H,10-15,17H2,1H3/t23-/m0/s1.
What are the key properties of [(2S)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone?
[(2S)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone has a molecular weight of 445.52 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 92638221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).