(4-aminophenyl)-(5-methoxy-3H-benzo[e]indol-2-yl)methanone

C20H16N2O2 — CID 53374629

IUPAC(4-aminophenyl)-(5-methoxy-3H-benzo[e]indol-2-yl)methanone
SMILESCOc1cc2[nH]c(C(=O)c3ccc(N)cc3)cc2c2ccccc12
InChIInChI=1S/C20H16N2O2/c1-24-19-11-17-16(14-4-2-3-5-15(14)19)10-18(22-17)20(23)12-6-8-13(21)9-7-12/h2-11,22H,21H2,1H3
InChIKeyRLAXGYTYRPCKAQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.14
Rot. Bonds3

About (4-aminophenyl)-(5-methoxy-3H-benzo[e]indol-2-yl)methanone

(4-aminophenyl)-(5-methoxy-3H-benzo[e]indol-2-yl)methanone (PubChem CID 53374629) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is (4-aminophenyl)-(5-methoxy-3H-benzo[e]indol-2-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(5-methoxy-3H-benzo[e]indol-2-yl)methanone
PubChem CID53374629
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name(4-aminophenyl)-(5-methoxy-3H-benzo[e]indol-2-yl)methanone
SMILESCOc1cc2[nH]c(C(=O)c3ccc(N)cc3)cc2c2ccccc12
InChIInChI=1S/C20H16N2O2/c1-24-19-11-17-16(14-4-2-3-5-15(14)19)10-18(22-17)20(23)12-6-8-13(21)9-7-12/h2-11,22H,21H2,1H3
InChIKeyRLAXGYTYRPCKAQ-UHFFFAOYSA-N
XLogP4.14
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-aminophenyl)-(9-methoxy-3H-benzo[e]indol-2-yl)methanone
CID 53374633
2,3-dimethoxy-9H-carbazole;terephthalic acid
CID 175513936
(4-amino-3-fluorophenyl)-(9-methoxy-3H-benzo[e]indol-2-yl)methanone
CID 53374734
1H-indol-2-yl-(4-methoxy-1H-indol-2-yl)methanone
CID 11543838
9H-carbazol-3-yl-(2-methoxyphenyl)methanone
CID 175474273
3H-benzo[e]indol-2-yl-(2-methoxy-4-pyridinyl)methanone
CID 53374339
N-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide
CID 18367970
(6-fluoro-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 56646815
4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid
CID 55250200
(4-aminophenyl)-phenylmethanone
CID 14346
(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 15104433
1-[4-(1H-indole-2-carbonyl)phenyl]ethanone
CID 139733709

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(5-methoxy-3H-benzo[e]indol-2-yl)methanone?
The IUPAC name of (4-aminophenyl)-(5-methoxy-3H-benzo[e]indol-2-yl)methanone (CID 53374629) is (4-aminophenyl)-(5-methoxy-3H-benzo[e]indol-2-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(5-methoxy-3H-benzo[e]indol-2-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(5-methoxy-3H-benzo[e]indol-2-yl)methanone is COc1cc2[nH]c(C(=O)c3ccc(N)cc3)cc2c2ccccc12.
What is the InChIKey of (4-aminophenyl)-(5-methoxy-3H-benzo[e]indol-2-yl)methanone?
The InChIKey is RLAXGYTYRPCKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-24-19-11-17-16(14-4-2-3-5-15(14)19)10-18(22-17)20(23)12-6-8-13(21)9-7-12/h2-11,22H,21H2,1H3.
What are the key properties of (4-aminophenyl)-(5-methoxy-3H-benzo[e]indol-2-yl)methanone?
(4-aminophenyl)-(5-methoxy-3H-benzo[e]indol-2-yl)methanone has a molecular weight of 316.36 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(5-methoxy-3H-benzo[e]indol-2-yl)methanone is sourced from PubChem (CID 53374629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).