N-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide

C26H27FN4O3 — CID 42861747

IUPACN-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide
SMILESO=C(c1cnc2ccccc2n1)N1CCOC(CN(C(=O)c2ccc(F)cc2)C2CCCC2)C1
InChIInChI=1S/C26H27FN4O3/c27-19-11-9-18(10-12-19)25(32)31(20-5-1-2-6-20)17-21-16-30(13-14-34-21)26(33)24-15-28-22-7-3-4-8-23(22)29-24/h3-4,7-12,15,20-21H,1-2,5-6,13-14,16-17H2
InChIKeyHQIRTEYIVFKCQE-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.69
Rot. Bonds5

About N-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide

N-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide (PubChem CID 42861747) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide
PubChem CID42861747
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC NameN-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide
SMILESO=C(c1cnc2ccccc2n1)N1CCOC(CN(C(=O)c2ccc(F)cc2)C2CCCC2)C1
InChIInChI=1S/C26H27FN4O3/c27-19-11-9-18(10-12-19)25(32)31(20-5-1-2-6-20)17-21-16-30(13-14-34-21)26(33)24-15-28-22-7-3-4-8-23(22)29-24/h3-4,7-12,15,20-21H,1-2,5-6,13-14,16-17H2
InChIKeyHQIRTEYIVFKCQE-UHFFFAOYSA-N
XLogP3.69
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-fluoro-N-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]benzamide
CID 42861743
N-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 42861770
N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 92989874
N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 92989858
N-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide
CID 42862616
N-(cyclopropylmethyl)-3-methoxy-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide
CID 42861712
(2-fluorophenyl)-[4-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone
CID 42861815
N-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide
CID 42862529
N-cyclopentyl-N-[[4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-fluorobenzamide
CID 42862531
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 115746338
[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-quinoxalin-2-ylmethanone
CID 127781397
(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide?
The IUPAC name of N-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide (CID 42861747) is N-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide?
The canonical SMILES for N-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide is O=C(c1cnc2ccccc2n1)N1CCOC(CN(C(=O)c2ccc(F)cc2)C2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide?
The InChIKey is HQIRTEYIVFKCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3/c27-19-11-9-18(10-12-19)25(32)31(20-5-1-2-6-20)17-21-16-30(13-14-34-21)26(33)24-15-28-22-7-3-4-8-23(22)29-24/h3-4,7-12,15,20-21H,1-2,5-6,13-14,16-17H2.
What are the key properties of N-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide?
N-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide has a molecular weight of 462.53 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 42861747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).