N-(cyclopropylmethyl)-3-methoxy-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide

C26H28N4O4 — CID 42861712

IUPACN-(cyclopropylmethyl)-3-methoxy-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)N(CC2CC2)CC2CN(C(=O)c3cnc4ccccc4n3)CCO2)c1
InChIInChI=1S/C26H28N4O4/c1-33-20-6-4-5-19(13-20)25(31)30(15-18-9-10-18)17-21-16-29(11-12-34-21)26(32)24-14-27-22-7-2-3-8-23(22)28-24/h2-8,13-14,18,21H,9-12,15-17H2,1H3
InChIKeyRJPQSBARVJCZSU-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.03
Rot. Bonds7

About N-(cyclopropylmethyl)-3-methoxy-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide

N-(cyclopropylmethyl)-3-methoxy-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide (PubChem CID 42861712) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-methoxy-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-methoxy-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide
PubChem CID42861712
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-(cyclopropylmethyl)-3-methoxy-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)N(CC2CC2)CC2CN(C(=O)c3cnc4ccccc4n3)CCO2)c1
InChIInChI=1S/C26H28N4O4/c1-33-20-6-4-5-19(13-20)25(31)30(15-18-9-10-18)17-21-16-29(11-12-34-21)26(32)24-14-27-22-7-2-3-8-23(22)28-24/h2-8,13-14,18,21H,9-12,15-17H2,1H3
InChIKeyRJPQSBARVJCZSU-UHFFFAOYSA-N
XLogP3.03
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(cyclopropylmethyl)-3-methoxy-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide
CID 42861711
N-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide
CID 42861747
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
N-(cyclopropylmethyl)-N-[[4-(furan-2-carbonyl)morpholin-2-yl]methyl]benzamide
CID 42861686
N-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 42861731
(2R)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 92990154
(2-ethylmorpholin-4-yl)-(6-methoxyquinolin-2-yl)methanone
CID 146085525
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45219116
(2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 93338501
(2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
CID 92990157
N-benzyl-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060532
(4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone
CID 33365935

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-methoxy-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-methoxy-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide (CID 42861712) is N-(cyclopropylmethyl)-3-methoxy-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-methoxy-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-methoxy-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide is COc1cccc(C(=O)N(CC2CC2)CC2CN(C(=O)c3cnc4ccccc4n3)CCO2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-methoxy-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide?
The InChIKey is RJPQSBARVJCZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-33-20-6-4-5-19(13-20)25(31)30(15-18-9-10-18)17-21-16-29(11-12-34-21)26(32)24-14-27-22-7-2-3-8-23(22)28-24/h2-8,13-14,18,21H,9-12,15-17H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-3-methoxy-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide?
N-(cyclopropylmethyl)-3-methoxy-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide has a molecular weight of 460.53 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-methoxy-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 42861712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).