N-methyl-2-[4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide

C25H27N5O3 — CID 110251792

IUPACN-methyl-2-[4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
SMILESCNC(=O)c1cc(C2CN(C(=O)c3ccnc(N4CCCC4)c3)CCO2)nc2ccccc12
InChIInChI=1S/C25H27N5O3/c1-26-24(31)19-15-21(28-20-7-3-2-6-18(19)20)22-16-30(12-13-33-22)25(32)17-8-9-27-23(14-17)29-10-4-5-11-29/h2-3,6-9,14-15,22H,4-5,10-13,16H2,1H3,(H,26,31)
InChIKeyQQLODOLVQAGXDH-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.80
Rot. Bonds4

About N-methyl-2-[4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide

N-methyl-2-[4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide (PubChem CID 110251792) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-methyl-2-[4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
PubChem CID110251792
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-methyl-2-[4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
SMILESCNC(=O)c1cc(C2CN(C(=O)c3ccnc(N4CCCC4)c3)CCO2)nc2ccccc12
InChIInChI=1S/C25H27N5O3/c1-26-24(31)19-15-21(28-20-7-3-2-6-18(19)20)22-16-30(12-13-33-22)25(32)17-8-9-27-23(14-17)29-10-4-5-11-29/h2-3,6-9,14-15,22H,4-5,10-13,16H2,1H3,(H,26,31)
InChIKeyQQLODOLVQAGXDH-UHFFFAOYSA-N
XLogP2.80
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639143
2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639142
N-propan-2-yl-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638218
[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 110115860
[(2R)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 125021944
N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 95815271
2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638905
2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 92638338
N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636667
[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]-phenylmethanone
CID 110251818
2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638995
[(2S)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 92638221

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
The IUPAC name of N-methyl-2-[4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide (CID 110251792) is N-methyl-2-[4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-methyl-2-[4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
The canonical SMILES for N-methyl-2-[4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide is CNC(=O)c1cc(C2CN(C(=O)c3ccnc(N4CCCC4)c3)CCO2)nc2ccccc12.
What is the InChIKey of N-methyl-2-[4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
The InChIKey is QQLODOLVQAGXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-26-24(31)19-15-21(28-20-7-3-2-6-18(19)20)22-16-30(12-13-33-22)25(32)17-8-9-27-23(14-17)29-10-4-5-11-29/h2-3,6-9,14-15,22H,4-5,10-13,16H2,1H3,(H,26,31).
What are the key properties of N-methyl-2-[4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
N-methyl-2-[4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 110251792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).