10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one;hydrochloride

C18H18ClN3O — CID 70147204

IUPAC10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one;hydrochloride
SMILESCc1[nH]cnc1CC1C=Cc2c(C)c3ccccc3n2C1=O.Cl
InChIInChI=1S/C18H17N3O.ClH/c1-11-14-5-3-4-6-17(14)21-16(11)8-7-13(18(21)22)9-15-12(2)19-10-20-15;/h3-8,10,13H,9H2,1-2H3,(H,19,20);1H
InChIKeyWPOFCWWHUFGLFK-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.93
Rot. Bonds2

About 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one;hydrochloride

10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one;hydrochloride (PubChem CID 70147204) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one;hydrochloride.

Molecular Properties

Compound Name10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one;hydrochloride
PubChem CID70147204
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one;hydrochloride
SMILESCc1[nH]cnc1CC1C=Cc2c(C)c3ccccc3n2C1=O.Cl
InChIInChI=1S/C18H17N3O.ClH/c1-11-14-5-3-4-6-17(14)21-16(11)8-7-13(18(21)22)9-15-12(2)19-10-20-15;/h3-8,10,13H,9H2,1-2H3,(H,19,20);1H
InChIKeyWPOFCWWHUFGLFK-UHFFFAOYSA-N
XLogP3.93
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one;hydrochloride with MolForge

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Related Compounds

10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one
CID 70072025
10-ethyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one;hydrochloride
CID 19097302
3,5-dimethyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride
CID 19787125
10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7-propyl-8,9-dihydropyrido[1,2-a]indol-6-one;hydrochloride
CID 19097320
7-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-8-one
CID 54372224
5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
CID 2099
bis[9-cyclopentyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-4-oxo-2,3-dihydro-1H-carbazol-1-yl] (Z)-but-2-enedioate
CID 67885624
10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methylidene]-8,9-dihydropyrido[1,2-a]indol-6-one
CID 54016559
but-2-enedioic acid;3-[(5-methyl-1H-imidazol-4-yl)methyl]-9-prop-2-enyl-2,3-dihydro-1H-carbazol-4-one
CID 67885839
3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one
CID 10421762
(Z)-but-2-enedioic acid;9-(cyclopentylmethyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
CID 14233908
but-2-enedioic acid;3-[(5-methyl-1H-imidazol-4-yl)methyl]-9-prop-2-ynyl-2,3-dihydro-1H-carbazol-4-one
CID 173364594

Frequently Asked Questions

What is the IUPAC name of 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one;hydrochloride?
The IUPAC name of 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one;hydrochloride (CID 70147204) is 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one;hydrochloride.
What is the SMILES notation for 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one;hydrochloride?
The canonical SMILES for 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one;hydrochloride is Cc1[nH]cnc1CC1C=Cc2c(C)c3ccccc3n2C1=O.Cl.
What is the InChIKey of 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one;hydrochloride?
The InChIKey is WPOFCWWHUFGLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O.ClH/c1-11-14-5-3-4-6-17(14)21-16(11)8-7-13(18(21)22)9-15-12(2)19-10-20-15;/h3-8,10,13H,9H2,1-2H3,(H,19,20);1H.
What are the key properties of 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one;hydrochloride?
10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one;hydrochloride has a molecular weight of 327.82 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one;hydrochloride is sourced from PubChem (CID 70147204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).