1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-(quinoxaline-6-carbonyl)pyrrolidin-3-yl]urea

C19H25N5O2 — CID 72895371

IUPAC1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-(quinoxaline-6-carbonyl)pyrrolidin-3-yl]urea
SMILESCC(C)[C@@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@H]1NC(=O)N(C)C
InChIInChI=1S/C19H25N5O2/c1-12(2)14-10-24(11-17(14)22-19(26)23(3)4)18(25)13-5-6-15-16(9-13)21-8-7-20-15/h5-9,12,14,17H,10-11H2,1-4H3,(H,22,26)/t14-,17+/m0/s1
InChIKeyZVEZZOVDLRLCBH-WMLDXEAASA-N
MW355.44 g/mol
LogP2.00
Rot. Bonds3

About 1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-(quinoxaline-6-carbonyl)pyrrolidin-3-yl]urea

1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-(quinoxaline-6-carbonyl)pyrrolidin-3-yl]urea (PubChem CID 72895371) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-(quinoxaline-6-carbonyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-(quinoxaline-6-carbonyl)pyrrolidin-3-yl]urea
PubChem CID72895371
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-(quinoxaline-6-carbonyl)pyrrolidin-3-yl]urea
SMILESCC(C)[C@@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@H]1NC(=O)N(C)C
InChIInChI=1S/C19H25N5O2/c1-12(2)14-10-24(11-17(14)22-19(26)23(3)4)18(25)13-5-6-15-16(9-13)21-8-7-20-15/h5-9,12,14,17H,10-11H2,1-4H3,(H,22,26)/t14-,17+/m0/s1
InChIKeyZVEZZOVDLRLCBH-WMLDXEAASA-N
XLogP2.00
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-(quinoxaline-6-carbonyl)pyrrolidin-3-yl]urea with MolForge

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Related Compounds

3-[1-(1,3-benzodioxole-5-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea
CID 156607039
3-[(3S,4R)-1-(1,3-benzodioxole-5-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea
CID 72845206
1,1-dimethyl-3-[4-propan-2-yl-1-(2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]urea
CID 156606234
1,1-dimethyl-3-[(3S,4R)-1-(1-methyl-6-oxopyridazine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]urea
CID 72927794
(3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone
CID 63754364
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 72900733
1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-[2-(1,2,4-triazol-1-yl)benzoyl]pyrrolidin-3-yl]urea
CID 72881887
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone
CID 121184096
3-[(3S,4R)-1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea
CID 72913156
1,1-dimethyl-3-[(3S,4R)-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]urea
CID 72933520
[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-quinoxalin-6-ylmethanone
CID 163351656
1,1-dimethyl-3-[4-propan-2-yl-1-(3-pyridin-3-ylpropanoyl)pyrrolidin-3-yl]urea
CID 156606497

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-(quinoxaline-6-carbonyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-(quinoxaline-6-carbonyl)pyrrolidin-3-yl]urea (CID 72895371) is 1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-(quinoxaline-6-carbonyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-(quinoxaline-6-carbonyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-(quinoxaline-6-carbonyl)pyrrolidin-3-yl]urea is CC(C)[C@@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@H]1NC(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-(quinoxaline-6-carbonyl)pyrrolidin-3-yl]urea?
The InChIKey is ZVEZZOVDLRLCBH-WMLDXEAASA-N. The full InChI is InChI=1S/C19H25N5O2/c1-12(2)14-10-24(11-17(14)22-19(26)23(3)4)18(25)13-5-6-15-16(9-13)21-8-7-20-15/h5-9,12,14,17H,10-11H2,1-4H3,(H,22,26)/t14-,17+/m0/s1.
What are the key properties of 1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-(quinoxaline-6-carbonyl)pyrrolidin-3-yl]urea?
1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-(quinoxaline-6-carbonyl)pyrrolidin-3-yl]urea has a molecular weight of 355.44 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-(quinoxaline-6-carbonyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 72895371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).