ethane;N-[2-[3-methyl-5-[2-methyl-3-(methylamino)quinoxalin-5-yl]-1H-pyrrol-2-yl]ethyl]formamide;2-methylpropane

C24H37N5O — CID 144566553

IUPACethane;N-[2-[3-methyl-5-[2-methyl-3-(methylamino)quinoxalin-5-yl]-1H-pyrrol-2-yl]ethyl]formamide;2-methylpropane
SMILESCC.CC(C)C.CNc1nc2c(-c3cc(C)c(CCNC=O)[nH]3)cccc2nc1C
InChIInChI=1S/C18H21N5O.C4H10.C2H6/c1-11-9-16(22-14(11)7-8-20-10-24)13-5-4-6-15-17(13)23-18(19-3)12(2)21-15;1-4(2)3;1-2/h4-6,9-10,22H,7-8H2,1-3H3,(H,19,23)(H,20,24);4H,1-3H3;1-2H3
InChIKeyZAAKUARFLQEQJI-UHFFFAOYSA-N
MW411.59 g/mol
LogP5.26
Rot. Bonds6

About ethane;N-[2-[3-methyl-5-[2-methyl-3-(methylamino)quinoxalin-5-yl]-1H-pyrrol-2-yl]ethyl]formamide;2-methylpropane

ethane;N-[2-[3-methyl-5-[2-methyl-3-(methylamino)quinoxalin-5-yl]-1H-pyrrol-2-yl]ethyl]formamide;2-methylpropane (PubChem CID 144566553) has the molecular formula C24H37N5O and a molecular weight of 411.59 g/mol. Its IUPAC name is ethane;N-[2-[3-methyl-5-[2-methyl-3-(methylamino)quinoxalin-5-yl]-1H-pyrrol-2-yl]ethyl]formamide;2-methylpropane.

Molecular Properties

Compound Nameethane;N-[2-[3-methyl-5-[2-methyl-3-(methylamino)quinoxalin-5-yl]-1H-pyrrol-2-yl]ethyl]formamide;2-methylpropane
PubChem CID144566553
Molecular FormulaC24H37N5O
Molecular Weight411.59 g/mol
Exact Mass411.30
IUPAC Nameethane;N-[2-[3-methyl-5-[2-methyl-3-(methylamino)quinoxalin-5-yl]-1H-pyrrol-2-yl]ethyl]formamide;2-methylpropane
SMILESCC.CC(C)C.CNc1nc2c(-c3cc(C)c(CCNC=O)[nH]3)cccc2nc1C
InChIInChI=1S/C18H21N5O.C4H10.C2H6/c1-11-9-16(22-14(11)7-8-20-10-24)13-5-4-6-15-17(13)23-18(19-3)12(2)21-15;1-4(2)3;1-2/h4-6,9-10,22H,7-8H2,1-3H3,(H,19,23)(H,20,24);4H,1-3H3;1-2H3
InChIKeyZAAKUARFLQEQJI-UHFFFAOYSA-N
XLogP5.26
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.59
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[3-methyl-5-[2-methyl-3-(methylamino)quinoxalin-5-yl]-1H-pyrrol-2-yl]ethyl]formamide;2-methylpropane?
The IUPAC name of ethane;N-[2-[3-methyl-5-[2-methyl-3-(methylamino)quinoxalin-5-yl]-1H-pyrrol-2-yl]ethyl]formamide;2-methylpropane (CID 144566553) is ethane;N-[2-[3-methyl-5-[2-methyl-3-(methylamino)quinoxalin-5-yl]-1H-pyrrol-2-yl]ethyl]formamide;2-methylpropane.
What is the SMILES notation for ethane;N-[2-[3-methyl-5-[2-methyl-3-(methylamino)quinoxalin-5-yl]-1H-pyrrol-2-yl]ethyl]formamide;2-methylpropane?
The canonical SMILES for ethane;N-[2-[3-methyl-5-[2-methyl-3-(methylamino)quinoxalin-5-yl]-1H-pyrrol-2-yl]ethyl]formamide;2-methylpropane is CC.CC(C)C.CNc1nc2c(-c3cc(C)c(CCNC=O)[nH]3)cccc2nc1C.
What is the InChIKey of ethane;N-[2-[3-methyl-5-[2-methyl-3-(methylamino)quinoxalin-5-yl]-1H-pyrrol-2-yl]ethyl]formamide;2-methylpropane?
The InChIKey is ZAAKUARFLQEQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O.C4H10.C2H6/c1-11-9-16(22-14(11)7-8-20-10-24)13-5-4-6-15-17(13)23-18(19-3)12(2)21-15;1-4(2)3;1-2/h4-6,9-10,22H,7-8H2,1-3H3,(H,19,23)(H,20,24);4H,1-3H3;1-2H3.
What are the key properties of ethane;N-[2-[3-methyl-5-[2-methyl-3-(methylamino)quinoxalin-5-yl]-1H-pyrrol-2-yl]ethyl]formamide;2-methylpropane?
ethane;N-[2-[3-methyl-5-[2-methyl-3-(methylamino)quinoxalin-5-yl]-1H-pyrrol-2-yl]ethyl]formamide;2-methylpropane has a molecular weight of 411.59 g/mol, XLogP of 5.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[3-methyl-5-[2-methyl-3-(methylamino)quinoxalin-5-yl]-1H-pyrrol-2-yl]ethyl]formamide;2-methylpropane is sourced from PubChem (CID 144566553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).