ethyl 5-(dipropylamino)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen

C22H31N3O3 — CID 177138883

IUPACethyl 5-(dipropylamino)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen
SMILESCCCN(CCC)c1cccc2[nH]c3cnc(C(=O)OCC)c(COC)c3c12.[H][H]
InChIInChI=1S/C22H29N3O3.H2/c1-5-11-25(12-6-2)18-10-8-9-16-20(18)19-15(14-27-4)21(22(26)28-7-3)23-13-17(19)24-16;/h8-10,13,24H,5-7,11-12,14H2,1-4H3;1H
InChIKeyRFCRBFNNFMNWHP-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.91
Rot. Bonds9

About ethyl 5-(dipropylamino)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen

ethyl 5-(dipropylamino)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen (PubChem CID 177138883) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is ethyl 5-(dipropylamino)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen.

Molecular Properties

Compound Nameethyl 5-(dipropylamino)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen
PubChem CID177138883
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Nameethyl 5-(dipropylamino)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen
SMILESCCCN(CCC)c1cccc2[nH]c3cnc(C(=O)OCC)c(COC)c3c12.[H][H]
InChIInChI=1S/C22H29N3O3.H2/c1-5-11-25(12-6-2)18-10-8-9-16-20(18)19-15(14-27-4)21(22(26)28-7-3)23-13-17(19)24-16;/h8-10,13,24H,5-7,11-12,14H2,1-4H3;1H
InChIKeyRFCRBFNNFMNWHP-UHFFFAOYSA-N
XLogP4.91
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(dipropylamino)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen with MolForge

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Related Compounds

ethyl 5-[(4-fluorophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13392780
ethyl 5-cyclobutyloxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 14456193
ethyl 5-(5-ethoxycarbonylfuran-2-yl)oxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 54333998
ethyl 6-[2-(dimethylamino)ethoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen
CID 177138880
ethyl 5-(cyclohexylmethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 14456197
ethyl 4-(methoxymethyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13392789
ethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 177138870
propan-2-yl 4-(methoxymethyl)-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate
CID 177138888
ethyl 6-(4-fluorophenyl)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 177138867
4-(methoxymethyl)-5-phenoxy-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 23039441
ethyl 6-[bis(prop-2-enyl)carbamoyl]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 54510265
5-[(2-chlorophenyl)methyl]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 22417706

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dipropylamino)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen?
The IUPAC name of ethyl 5-(dipropylamino)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen (CID 177138883) is ethyl 5-(dipropylamino)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen.
What is the SMILES notation for ethyl 5-(dipropylamino)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen?
The canonical SMILES for ethyl 5-(dipropylamino)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen is CCCN(CCC)c1cccc2[nH]c3cnc(C(=O)OCC)c(COC)c3c12.[H][H].
What is the InChIKey of ethyl 5-(dipropylamino)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen?
The InChIKey is RFCRBFNNFMNWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3.H2/c1-5-11-25(12-6-2)18-10-8-9-16-20(18)19-15(14-27-4)21(22(26)28-7-3)23-13-17(19)24-16;/h8-10,13,24H,5-7,11-12,14H2,1-4H3;1H.
What are the key properties of ethyl 5-(dipropylamino)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen?
ethyl 5-(dipropylamino)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen has a molecular weight of 385.51 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dipropylamino)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen is sourced from PubChem (CID 177138883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).