N-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide

C19H22FN3O2 — CID 92872070

IUPACN-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
SMILESCC[C@@H](C)NC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21
InChIInChI=1S/C19H22FN3O2/c1-3-13(2)21-18(24)7-5-11-23-17-12-14(20)8-9-15(17)22-10-4-6-16(22)19(23)25/h4,6,8-10,12-13H,3,5,7,11H2,1-2H3,(H,21,24)/t13-/m1/s1
InChIKeyHWPIBZWBMJNVTI-CYBMUJFWSA-N
MW343.40 g/mol
LogP3.09
Rot. Bonds6

About N-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide

N-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide (PubChem CID 92872070) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
PubChem CID92872070
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
SMILESCC[C@@H](C)NC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21
InChIInChI=1S/C19H22FN3O2/c1-3-13(2)21-18(24)7-5-11-23-17-12-14(20)8-9-15(17)22-10-4-6-16(22)19(23)25/h4,6,8-10,12-13H,3,5,7,11H2,1-2H3,(H,21,24)/t13-/m1/s1
InChIKeyHWPIBZWBMJNVTI-CYBMUJFWSA-N
XLogP3.09
TPSA55.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide with MolForge

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Related Compounds

4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-propan-2-ylbutanamide
CID 46272812
N-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272798
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 46272890
N-cyclohexyl-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522775
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide
CID 46272869
N-[2-(4-ethoxyphenyl)ethyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272868
N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272842
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide
CID 92872084
7-fluoro-5-(3-oxo-3-piperidin-1-ylpropyl)pyrrolo[1,2-a]quinoxalin-4-one
CID 162504811
N-[(2R)-butan-2-yl]-3-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)propanamide
CID 92687266
5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-7-fluoropyrrolo[1,2-a]quinoxalin-4-one
CID 46272884
3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(furan-2-ylmethyl)propanamide
CID 46272762

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide (CID 92872070) is N-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide is CC[C@@H](C)NC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The InChIKey is HWPIBZWBMJNVTI-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-3-13(2)21-18(24)7-5-11-23-17-12-14(20)8-9-15(17)22-10-4-6-16(22)19(23)25/h4,6,8-10,12-13H,3,5,7,11H2,1-2H3,(H,21,24)/t13-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
N-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide has a molecular weight of 343.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide is sourced from PubChem (CID 92872070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).