18-ethyl-18-azapentacyclo[9.7.0.02,8.03,5.012,17]octadeca-1(11),2(8),6,9,12,14,16-heptaene

C19H17N — CID 142416237

IUPAC18-ethyl-18-azapentacyclo[9.7.0.02,8.03,5.012,17]octadeca-1(11),2(8),6,9,12,14,16-heptaene
SMILESCCn1c2ccccc2c2ccc3c(c21)C1CC1C=C3
InChIInChI=1S/C19H17N/c1-2-20-17-6-4-3-5-14(17)15-10-9-12-7-8-13-11-16(13)18(12)19(15)20/h3-10,13,16H,2,11H2,1H3
InChIKeyCQGNDDMCBQOGQP-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.94
Rot. Bonds1

About 18-ethyl-18-azapentacyclo[9.7.0.02,8.03,5.012,17]octadeca-1(11),2(8),6,9,12,14,16-heptaene

18-ethyl-18-azapentacyclo[9.7.0.02,8.03,5.012,17]octadeca-1(11),2(8),6,9,12,14,16-heptaene (PubChem CID 142416237) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is 18-ethyl-18-azapentacyclo[9.7.0.02,8.03,5.012,17]octadeca-1(11),2(8),6,9,12,14,16-heptaene.

Molecular Properties

Compound Name18-ethyl-18-azapentacyclo[9.7.0.02,8.03,5.012,17]octadeca-1(11),2(8),6,9,12,14,16-heptaene
PubChem CID142416237
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC Name18-ethyl-18-azapentacyclo[9.7.0.02,8.03,5.012,17]octadeca-1(11),2(8),6,9,12,14,16-heptaene
SMILESCCn1c2ccccc2c2ccc3c(c21)C1CC1C=C3
InChIInChI=1S/C19H17N/c1-2-20-17-6-4-3-5-14(17)15-10-9-12-7-8-13-11-16(13)18(12)19(15)20/h3-10,13,16H,2,11H2,1H3
InChIKeyCQGNDDMCBQOGQP-UHFFFAOYSA-N
XLogP4.94
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 18-ethyl-18-azapentacyclo[9.7.0.02,8.03,5.012,17]octadeca-1(11),2(8),6,9,12,14,16-heptaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,27-diethyl-4,27-diazaheptacyclo[15.11.0.02,14.03,11.05,10.020,28.021,26]octacosa-1(17),2(14),3(11),5,7,9,12,15,18,20(28),21,23,25-tridecaene
CID 177442338
12-ethyl-11-methylindolo[2,3-a]carbazole
CID 90350910
1-bromo-9-ethylcarbazole
CID 19736997
21-ethyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 20520657
(1S,7R)-4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 91294829
15-ethyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 135242724
(1R,15S)-4-ethyl-4-azapentacyclo[13.2.1.02,14.03,11.05,10]octadeca-2(14),3(11),5,7,9,16-hexaene-12,13-dione
CID 11403529
9,18-diethyl-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 159952707
4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 68543076
9-ethyl-2-methylcarbazole
CID 19788789
9-ethyl-1-pyrimidin-2-ylcarbazole
CID 91102631
4-[(9-ethylcarbazol-3-yl)methyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122537699

Frequently Asked Questions

What is the IUPAC name of 18-ethyl-18-azapentacyclo[9.7.0.02,8.03,5.012,17]octadeca-1(11),2(8),6,9,12,14,16-heptaene?
The IUPAC name of 18-ethyl-18-azapentacyclo[9.7.0.02,8.03,5.012,17]octadeca-1(11),2(8),6,9,12,14,16-heptaene (CID 142416237) is 18-ethyl-18-azapentacyclo[9.7.0.02,8.03,5.012,17]octadeca-1(11),2(8),6,9,12,14,16-heptaene.
What is the SMILES notation for 18-ethyl-18-azapentacyclo[9.7.0.02,8.03,5.012,17]octadeca-1(11),2(8),6,9,12,14,16-heptaene?
The canonical SMILES for 18-ethyl-18-azapentacyclo[9.7.0.02,8.03,5.012,17]octadeca-1(11),2(8),6,9,12,14,16-heptaene is CCn1c2ccccc2c2ccc3c(c21)C1CC1C=C3.
What is the InChIKey of 18-ethyl-18-azapentacyclo[9.7.0.02,8.03,5.012,17]octadeca-1(11),2(8),6,9,12,14,16-heptaene?
The InChIKey is CQGNDDMCBQOGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N/c1-2-20-17-6-4-3-5-14(17)15-10-9-12-7-8-13-11-16(13)18(12)19(15)20/h3-10,13,16H,2,11H2,1H3.
What are the key properties of 18-ethyl-18-azapentacyclo[9.7.0.02,8.03,5.012,17]octadeca-1(11),2(8),6,9,12,14,16-heptaene?
18-ethyl-18-azapentacyclo[9.7.0.02,8.03,5.012,17]octadeca-1(11),2(8),6,9,12,14,16-heptaene has a molecular weight of 259.35 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-ethyl-18-azapentacyclo[9.7.0.02,8.03,5.012,17]octadeca-1(11),2(8),6,9,12,14,16-heptaene is sourced from PubChem (CID 142416237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).