4-methyl-3-(nitrosomethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole

C20H17N3O2 — CID 57196938

IUPAC4-methyl-3-(nitrosomethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole
SMILESCc1c(CN=O)ncc2[nH]c3ccc(OCc4ccccc4)cc3c12
InChIInChI=1S/C20H17N3O2/c1-13-18(11-22-24)21-10-19-20(13)16-9-15(7-8-17(16)23-19)25-12-14-5-3-2-4-6-14/h2-10,23H,11-12H2,1H3
InChIKeyBZORIFPPQPVJQI-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.87
Rot. Bonds5

About 4-methyl-3-(nitrosomethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole

4-methyl-3-(nitrosomethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole (PubChem CID 57196938) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-methyl-3-(nitrosomethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name4-methyl-3-(nitrosomethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole
PubChem CID57196938
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name4-methyl-3-(nitrosomethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole
SMILESCc1c(CN=O)ncc2[nH]c3ccc(OCc4ccccc4)cc3c12
InChIInChI=1S/C20H17N3O2/c1-13-18(11-22-24)21-10-19-20(13)16-9-15(7-8-17(16)23-19)25-12-14-5-3-2-4-6-14/h2-10,23H,11-12H2,1H3
InChIKeyBZORIFPPQPVJQI-UHFFFAOYSA-N
XLogP4.87
TPSA67.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methoxymethyl)-6-[(3-methylphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 21462944
5,11-dimethyl-9-phenylmethoxy-2,6-dihydropyrido[4,3-b]carbazol-1-one
CID 46897130
1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one
CID 143156217
2,3-dihydroxypropyl 4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole-3-carboxylate
CID 18963822
ethyl 3-[4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indol-3-yl]-1,2-oxazole-5-carboxylate
CID 14372941
6-[(2-fluorophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 21462952
6-[(3-cyanophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 21462939
propan-2-yl 4-(methoxymethyl)-6-[(3-methylphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 4-(methoxymethyl)-6-[(4-methylphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 158639288
6,16,26-tris(phenylmethoxy)-10,20,30-triazaheptacyclo[21.7.0.03,11.04,9.013,21.014,19.024,29]triaconta-1(23),3(11),4(9),5,7,13(21),14(19),15,17,24(29),25,27-dodecaene
CID 101011137
2,3-dimethyl-6-phenylmethoxyquinolin-4-amine
CID 62204130
4-(methoxymethyl)-6-phenoxy-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 23039420
ethyl 3-iodo-5-phenylmethoxy-1H-indole-2-carboxylate
CID 25147379

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(nitrosomethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole?
The IUPAC name of 4-methyl-3-(nitrosomethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole (CID 57196938) is 4-methyl-3-(nitrosomethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 4-methyl-3-(nitrosomethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole?
The canonical SMILES for 4-methyl-3-(nitrosomethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole is Cc1c(CN=O)ncc2[nH]c3ccc(OCc4ccccc4)cc3c12.
What is the InChIKey of 4-methyl-3-(nitrosomethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole?
The InChIKey is BZORIFPPQPVJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-13-18(11-22-24)21-10-19-20(13)16-9-15(7-8-17(16)23-19)25-12-14-5-3-2-4-6-14/h2-10,23H,11-12H2,1H3.
What are the key properties of 4-methyl-3-(nitrosomethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole?
4-methyl-3-(nitrosomethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole has a molecular weight of 331.38 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(nitrosomethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 57196938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).