1-N,1-N-diethyl-4-N-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)pentane-1,4-diamine

C21H30N4O — CID 11462375

IUPAC1-N,1-N-diethyl-4-N-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nc2cc(OC)ccc2n2cccc12
InChIInChI=1S/C21H30N4O/c1-5-24(6-2)13-7-9-16(3)22-21-20-10-8-14-25(20)19-12-11-17(26-4)15-18(19)23-21/h8,10-12,14-16H,5-7,9,13H2,1-4H3,(H,22,23)
InChIKeyNMUNBENHFIVXAJ-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.42
Rot. Bonds9

About 1-N,1-N-diethyl-4-N-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)pentane-1,4-diamine

1-N,1-N-diethyl-4-N-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)pentane-1,4-diamine (PubChem CID 11462375) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)pentane-1,4-diamine
PubChem CID11462375
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name1-N,1-N-diethyl-4-N-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nc2cc(OC)ccc2n2cccc12
InChIInChI=1S/C21H30N4O/c1-5-24(6-2)13-7-9-16(3)22-21-20-10-8-14-25(20)19-12-11-17(26-4)15-18(19)23-21/h8,10-12,14-16H,5-7,9,13H2,1-4H3,(H,22,23)
InChIKeyNMUNBENHFIVXAJ-UHFFFAOYSA-N
XLogP4.42
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-1H-benzimidazole
CID 78598
Omeprazole sulfenamide
CID 5311467
4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
CID 156599543
6-Methoxy-1-phenyl-1H-benzimidazole
CID 652633
1H-Benzimidazole, 5-methoxy-1-phenyl-
CID 5328466
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498
5-Substituted 1-Phenylbenzimidazole 15
CID 5328505
dimethyl({3-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]propyl})amine
CID 5328507
dimethyl({4-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]butyl})amine
CID 5328508
4-(5-methoxy-1H-1,3-benzodiazol-1-yl)aniline
CID 5328512
N-[4-[1-methyl-2-[3-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 57568471
N-[4-[1-methyl-2-[4-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 57568562

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)pentane-1,4-diamine (CID 11462375) is 1-N,1-N-diethyl-4-N-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)pentane-1,4-diamine is CCN(CC)CCCC(C)Nc1nc2cc(OC)ccc2n2cccc12.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)pentane-1,4-diamine?
The InChIKey is NMUNBENHFIVXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-5-24(6-2)13-7-9-16(3)22-21-20-10-8-14-25(20)19-12-11-17(26-4)15-18(19)23-21/h8,10-12,14-16H,5-7,9,13H2,1-4H3,(H,22,23).
What are the key properties of 1-N,1-N-diethyl-4-N-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)pentane-1,4-diamine has a molecular weight of 354.50 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)pentane-1,4-diamine is sourced from PubChem (CID 11462375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).