methyl N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)carbamate

C14H13N3O3 — CID 141175145

IUPACmethyl N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)carbamate
SMILESCOC(=O)Nc1nccc2c1[nH]c1cc(OC)ccc12
InChIInChI=1S/C14H13N3O3/c1-19-8-3-4-9-10-5-6-15-13(17-14(18)20-2)12(10)16-11(9)7-8/h3-7,16H,1-2H3,(H,15,17,18)
InChIKeyKQHKYXWWMIOZSU-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.90
Rot. Bonds2

About methyl N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)carbamate

methyl N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)carbamate (PubChem CID 141175145) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is methyl N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)carbamate
PubChem CID141175145
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Namemethyl N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)carbamate
SMILESCOC(=O)Nc1nccc2c1[nH]c1cc(OC)ccc12
InChIInChI=1S/C14H13N3O3/c1-19-8-3-4-9-10-5-6-15-13(17-14(18)20-2)12(10)16-11(9)7-8/h3-7,16H,1-2H3,(H,15,17,18)
InChIKeyKQHKYXWWMIOZSU-UHFFFAOYSA-N
XLogP2.90
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)acetamide
CID 175599474
3-(3-fluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanamide
CID 175599487
iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 25113429
3-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)prop-2-enoic acid
CID 163192645
7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
CID 170743594
7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one
CID 135764700
N-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine
CID 56680103
1H-indole;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 175384815
9-methoxy-N,5-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine
CID 70887380
7-methoxy-1,2-dimethyl-9H-carbazol-3-ol
CID 15182253
9-methoxy-2,3-dimethyl-11H-indolo[3,2-c]quinoline
CID 158854687
2,3,9-trimethoxy-11H-indolo[3,2-c]quinoline
CID 138726902

Frequently Asked Questions

What is the IUPAC name of methyl N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)carbamate?
The IUPAC name of methyl N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)carbamate (CID 141175145) is methyl N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)carbamate.
What is the SMILES notation for methyl N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)carbamate?
The canonical SMILES for methyl N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)carbamate is COC(=O)Nc1nccc2c1[nH]c1cc(OC)ccc12.
What is the InChIKey of methyl N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)carbamate?
The InChIKey is KQHKYXWWMIOZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-19-8-3-4-9-10-5-6-15-13(17-14(18)20-2)12(10)16-11(9)7-8/h3-7,16H,1-2H3,(H,15,17,18).
What are the key properties of methyl N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)carbamate?
methyl N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)carbamate has a molecular weight of 271.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)carbamate is sourced from PubChem (CID 141175145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).