1-methyl-9-(3-phenylpropyl)-7-propan-2-yloxypyrido[3,4-b]indole;hydrochloride

C24H27ClN2O — CID 46704401

IUPAC1-methyl-9-(3-phenylpropyl)-7-propan-2-yloxypyrido[3,4-b]indole;hydrochloride
SMILESCc1nccc2c3ccc(OC(C)C)cc3n(CCCc3ccccc3)c12.Cl
InChIInChI=1S/C24H26N2O.ClH/c1-17(2)27-20-11-12-21-22-13-14-25-18(3)24(22)26(23(21)16-20)15-7-10-19-8-5-4-6-9-19;/h4-6,8-9,11-14,16-17H,7,10,15H2,1-3H3;1H
InChIKeyBMDVUDKWMMFPBB-UHFFFAOYSA-N
MW394.95 g/mol
LogP6.34
Rot. Bonds6

About 1-methyl-9-(3-phenylpropyl)-7-propan-2-yloxypyrido[3,4-b]indole;hydrochloride

1-methyl-9-(3-phenylpropyl)-7-propan-2-yloxypyrido[3,4-b]indole;hydrochloride (PubChem CID 46704401) has the molecular formula C24H27ClN2O and a molecular weight of 394.95 g/mol. Its IUPAC name is 1-methyl-9-(3-phenylpropyl)-7-propan-2-yloxypyrido[3,4-b]indole;hydrochloride.

Molecular Properties

Compound Name1-methyl-9-(3-phenylpropyl)-7-propan-2-yloxypyrido[3,4-b]indole;hydrochloride
PubChem CID46704401
Molecular FormulaC24H27ClN2O
Molecular Weight394.95 g/mol
Exact Mass394.18
IUPAC Name1-methyl-9-(3-phenylpropyl)-7-propan-2-yloxypyrido[3,4-b]indole;hydrochloride
SMILESCc1nccc2c3ccc(OC(C)C)cc3n(CCCc3ccccc3)c12.Cl
InChIInChI=1S/C24H26N2O.ClH/c1-17(2)27-20-11-12-21-22-13-14-25-18(3)24(22)26(23(21)16-20)15-7-10-19-8-5-4-6-9-19;/h4-6,8-9,11-14,16-17H,7,10,15H2,1-3H3;1H
InChIKeyBMDVUDKWMMFPBB-UHFFFAOYSA-N
XLogP6.34
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.95
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-7-phenylmethoxy-9-(3-phenylpropyl)pyrido[3,4-b]indole
CID 46703779
1-methyl-7-phenylmethoxy-9-(3-phenylpropyl)pyrido[3,4-b]indole;hydrobromide
CID 46907529
1-methyl-7-(3-methylbut-2-enoxy)-9-(3-phenylpropyl)pyrido[3,4-b]indole
CID 71575583
7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole
CID 71539519
7-[[1-(4-bromophenyl)triazol-4-yl]methoxy]-1-methyl-9-(3-phenylpropyl)pyrido[3,4-b]indole
CID 155811882
7-hexoxy-9-[6-(7-hexoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole
CID 71539520
1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole
CID 71539374
7-methoxy-1-methyl-9-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrido[3,4-b]indole;hydrochloride
CID 86298492
4-[7-(deuteriomethoxy)-1-methylpyrido[3,4-b]indol-9-yl]butanenitrile
CID 155682962
7-butoxy-1-[2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole
CID 75070824
2-benzyl-7-butoxy-1-methyl-9-(3-phenylpropyl)pyrido[3,4-b]indol-2-ium
CID 71575484
1-methyl-9-(2-methylpropyl)-7-propoxypyrido[3,4-b]indole
CID 174692648

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-(3-phenylpropyl)-7-propan-2-yloxypyrido[3,4-b]indole;hydrochloride?
The IUPAC name of 1-methyl-9-(3-phenylpropyl)-7-propan-2-yloxypyrido[3,4-b]indole;hydrochloride (CID 46704401) is 1-methyl-9-(3-phenylpropyl)-7-propan-2-yloxypyrido[3,4-b]indole;hydrochloride.
What is the SMILES notation for 1-methyl-9-(3-phenylpropyl)-7-propan-2-yloxypyrido[3,4-b]indole;hydrochloride?
The canonical SMILES for 1-methyl-9-(3-phenylpropyl)-7-propan-2-yloxypyrido[3,4-b]indole;hydrochloride is Cc1nccc2c3ccc(OC(C)C)cc3n(CCCc3ccccc3)c12.Cl.
What is the InChIKey of 1-methyl-9-(3-phenylpropyl)-7-propan-2-yloxypyrido[3,4-b]indole;hydrochloride?
The InChIKey is BMDVUDKWMMFPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O.ClH/c1-17(2)27-20-11-12-21-22-13-14-25-18(3)24(22)26(23(21)16-20)15-7-10-19-8-5-4-6-9-19;/h4-6,8-9,11-14,16-17H,7,10,15H2,1-3H3;1H.
What are the key properties of 1-methyl-9-(3-phenylpropyl)-7-propan-2-yloxypyrido[3,4-b]indole;hydrochloride?
1-methyl-9-(3-phenylpropyl)-7-propan-2-yloxypyrido[3,4-b]indole;hydrochloride has a molecular weight of 394.95 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-(3-phenylpropyl)-7-propan-2-yloxypyrido[3,4-b]indole;hydrochloride is sourced from PubChem (CID 46704401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).