1,9-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide

C18H15N3O3 — CID 77105819

IUPAC1,9-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide
SMILESCOc1ccc2c(c1)[nH]c1c3c(OC)cncc3cc(C(N)=O)c21
InChIInChI=1S/C18H15N3O3/c1-23-10-3-4-11-13(6-10)21-17-15-9(7-20-8-14(15)24-2)5-12(16(11)17)18(19)22/h3-8,21H,1-2H3,(H2,19,22)
InChIKeyXVSFEEKLBPRHRF-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.99
Rot. Bonds3

About 1,9-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide

1,9-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide (PubChem CID 77105819) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 1,9-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide.

Molecular Properties

Compound Name1,9-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide
PubChem CID77105819
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name1,9-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide
SMILESCOc1ccc2c(c1)[nH]c1c3c(OC)cncc3cc(C(N)=O)c21
InChIInChI=1S/C18H15N3O3/c1-23-10-3-4-11-13(6-10)21-17-15-9(7-20-8-14(15)24-2)5-12(16(11)17)18(19)22/h3-8,21H,1-2H3,(H2,19,22)
InChIKeyXVSFEEKLBPRHRF-UHFFFAOYSA-N
XLogP2.99
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,8-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile
CID 77105815
4-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 175752566
1-(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)-N,N-dimethylmethanamine
CID 77105821
2,3,9-trimethoxy-11H-indolo[3,2-c]quinoline
CID 138726902
6-methoxy-1H-indole-2,3-dicarbaldehyde
CID 89262984
7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one
CID 135764700
1-ethyl-7-methoxy-9H-pyrido[3,4-b]indol-3-amine
CID 115044226
3-amino-6-methoxy-1H-indole-2-carbohydrazide;hydrochloride
CID 112756295
9-methoxy-2,3-dimethyl-11H-indolo[3,2-c]quinoline
CID 158854687
2-(6-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 70238324
3,5-dimethoxypyridine-4-carboxamide
CID 69277472
methyl N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)carbamate
CID 141175145

Frequently Asked Questions

What is the IUPAC name of 1,9-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide?
The IUPAC name of 1,9-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide (CID 77105819) is 1,9-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide.
What is the SMILES notation for 1,9-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide?
The canonical SMILES for 1,9-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide is COc1ccc2c(c1)[nH]c1c3c(OC)cncc3cc(C(N)=O)c21.
What is the InChIKey of 1,9-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide?
The InChIKey is XVSFEEKLBPRHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-23-10-3-4-11-13(6-10)21-17-15-9(7-20-8-14(15)24-2)5-12(16(11)17)18(19)22/h3-8,21H,1-2H3,(H2,19,22).
What are the key properties of 1,9-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide?
1,9-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide is sourced from PubChem (CID 77105819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).