16-(2-methoxyanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione

C23H16N2O3 — CID 4680834

IUPAC16-(2-methoxyanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
SMILESCOc1ccccc1Nc1c2c3c(cccc3[nH]c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C23H16N2O3/c1-28-18-12-5-4-10-16(18)24-21-20-13-7-2-3-8-14(13)22(26)15-9-6-11-17(19(15)20)25-23(21)27/h2-12,24H,1H3,(H,25,27)
InChIKeyLVBBOPJVYLDPNJ-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.49
Rot. Bonds3

About 16-(2-methoxyanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione

16-(2-methoxyanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione (PubChem CID 4680834) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is 16-(2-methoxyanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione.

Molecular Properties

Compound Name16-(2-methoxyanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
PubChem CID4680834
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC Name16-(2-methoxyanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
SMILESCOc1ccccc1Nc1c2c3c(cccc3[nH]c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C23H16N2O3/c1-28-18-12-5-4-10-16(18)24-21-20-13-7-2-3-8-14(13)22(26)15-9-6-11-17(19(15)20)25-23(21)27/h2-12,24H,1H3,(H,25,27)
InChIKeyLVBBOPJVYLDPNJ-UHFFFAOYSA-N
XLogP4.49
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 16-(2-methoxyanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione with MolForge

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Related Compounds

N-(8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide
CID 3376321
16-(cyclohexylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
CID 791001
4-(2-methoxyanilino)-9,10-dioxoanthracene-2-sulfonic acid
CID 102346979
7-methoxy-5H-indeno[2,1-b]indol-6-one
CID 10444743
4-hydroxy-5-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 68862785
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
methyl (9-oxofluoren-4-yl) carbonate
CID 67416838
1-amino-4-(2-methoxyanilino)-9,10-dioxoanthracene-2-sulfonate
CID 59448190
1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
CID 19024304
5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one
CID 136970500
N-[4-[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 21169719
2,3-dichloro-N-(2-methoxyphenyl)aniline
CID 82537063

Frequently Asked Questions

What is the IUPAC name of 16-(2-methoxyanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
The IUPAC name of 16-(2-methoxyanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione (CID 4680834) is 16-(2-methoxyanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione.
What is the SMILES notation for 16-(2-methoxyanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
The canonical SMILES for 16-(2-methoxyanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione is COc1ccccc1Nc1c2c3c(cccc3[nH]c1=O)C(=O)c1ccccc1-2.
What is the InChIKey of 16-(2-methoxyanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
The InChIKey is LVBBOPJVYLDPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3/c1-28-18-12-5-4-10-16(18)24-21-20-13-7-2-3-8-14(13)22(26)15-9-6-11-17(19(15)20)25-23(21)27/h2-12,24H,1H3,(H,25,27).
What are the key properties of 16-(2-methoxyanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
16-(2-methoxyanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione has a molecular weight of 368.39 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(2-methoxyanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione is sourced from PubChem (CID 4680834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).