17-methoxy-6-propyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylic acid

C24H26N2O3 — CID 18372428

IUPAC17-methoxy-6-propyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylic acid
SMILESCCCc1[nH]c2ccc3c(c2c1C(=O)O)CN1CCc2cc(OC)ccc2C1C3
InChIInChI=1S/C24H26N2O3/c1-3-4-19-23(24(27)28)22-18-13-26-10-9-15-11-16(29-2)6-7-17(15)21(26)12-14(18)5-8-20(22)25-19/h5-8,11,21,25H,3-4,9-10,12-13H2,1-2H3,(H,27,28)
InChIKeyMWCWYNUKMUEFJP-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.48
Rot. Bonds4

About 17-methoxy-6-propyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylic acid

17-methoxy-6-propyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylic acid (PubChem CID 18372428) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 17-methoxy-6-propyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylic acid.

Molecular Properties

Compound Name17-methoxy-6-propyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylic acid
PubChem CID18372428
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name17-methoxy-6-propyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylic acid
SMILESCCCc1[nH]c2ccc3c(c2c1C(=O)O)CN1CCc2cc(OC)ccc2C1C3
InChIInChI=1S/C24H26N2O3/c1-3-4-19-23(24(27)28)22-18-13-26-10-9-15-11-16(29-2)6-7-17(15)21(26)12-14(18)5-8-20(22)25-19/h5-8,11,21,25H,3-4,9-10,12-13H2,1-2H3,(H,27,28)
InChIKeyMWCWYNUKMUEFJP-UHFFFAOYSA-N
XLogP4.48
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 17-methoxy-6-propyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylic acid with MolForge

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Related Compounds

ethyl 17-methoxy-6-methyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate
CID 10271702
11-(benzenesulfonyl)-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
CID 145042418
(11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 67568151
(1R)-6,19-dimethoxy-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4(9),5,7,16(21),17,19-heptaene
CID 137467201
(3-ethoxy-10-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-yl) benzenesulfonate
CID 58033336
(1S)-18-methoxy-1,3,11,12,14,21-hexahydroyohimban
CID 11012165
ethane;9-ethoxy-10-(3-fluorophenyl)sulfanyloxy-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
CID 145042387
2-[3-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoazepan-1-yl]acetic acid
CID 154743411
N-(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylethanesulfonamide;hydrochloride
CID 67568383
(13aR)-3-(hydroxymethyl)-10-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-ol
CID 118000337
ethane;fluoroethane;10-(3-fluorophenyl)sulfanyloxy-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
CID 145042636
(13aS)-2,3,9,10,11-pentamethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline;(13aS)-2,3,9,12-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline;(13aS)-3,10,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline;3,9,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline;3,10,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
CID 158268296

Frequently Asked Questions

What is the IUPAC name of 17-methoxy-6-propyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylic acid?
The IUPAC name of 17-methoxy-6-propyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylic acid (CID 18372428) is 17-methoxy-6-propyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylic acid.
What is the SMILES notation for 17-methoxy-6-propyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylic acid?
The canonical SMILES for 17-methoxy-6-propyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylic acid is CCCc1[nH]c2ccc3c(c2c1C(=O)O)CN1CCc2cc(OC)ccc2C1C3.
What is the InChIKey of 17-methoxy-6-propyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylic acid?
The InChIKey is MWCWYNUKMUEFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-3-4-19-23(24(27)28)22-18-13-26-10-9-15-11-16(29-2)6-7-17(15)21(26)12-14(18)5-8-20(22)25-19/h5-8,11,21,25H,3-4,9-10,12-13H2,1-2H3,(H,27,28).
What are the key properties of 17-methoxy-6-propyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylic acid?
17-methoxy-6-propyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylic acid has a molecular weight of 390.48 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methoxy-6-propyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylic acid is sourced from PubChem (CID 18372428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).