(8-quinolin-8-yl-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl) N-[5-(diethylamino)pentan-2-yl]carbamate

C35H36N4O3 — CID 155554085

IUPAC(8-quinolin-8-yl-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl) N-[5-(diethylamino)pentan-2-yl]carbamate
SMILESCCN(CC)CCCC(C)NC(=O)OC1=C(c2cccc3cccnc23)Oc2cc3ccccc3cc2-n2cccc21
InChIInChI=1S/C35H36N4O3/c1-4-38(5-2)20-10-12-24(3)37-35(40)42-34-29-18-11-21-39(29)30-22-26-13-6-7-14-27(26)23-31(30)41-33(34)28-17-8-15-25-16-9-19-36-32(25)28/h6-9,11,13-19,21-24H,4-5,10,12,20H2,1-3H3,(H,37,40)
InChIKeyMEOHWLKSHHBHPX-UHFFFAOYSA-N
MW560.70 g/mol
LogP7.63
Rot. Bonds9

About (8-quinolin-8-yl-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl) N-[5-(diethylamino)pentan-2-yl]carbamate

(8-quinolin-8-yl-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl) N-[5-(diethylamino)pentan-2-yl]carbamate (PubChem CID 155554085) has the molecular formula C35H36N4O3 and a molecular weight of 560.70 g/mol. Its IUPAC name is (8-quinolin-8-yl-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl) N-[5-(diethylamino)pentan-2-yl]carbamate.

Molecular Properties

Compound Name(8-quinolin-8-yl-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl) N-[5-(diethylamino)pentan-2-yl]carbamate
PubChem CID155554085
Molecular FormulaC35H36N4O3
Molecular Weight560.70 g/mol
Exact Mass560.28
IUPAC Name(8-quinolin-8-yl-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl) N-[5-(diethylamino)pentan-2-yl]carbamate
SMILESCCN(CC)CCCC(C)NC(=O)OC1=C(c2cccc3cccnc23)Oc2cc3ccccc3cc2-n2cccc21
InChIInChI=1S/C35H36N4O3/c1-4-38(5-2)20-10-12-24(3)37-35(40)42-34-29-18-11-21-39(29)30-22-26-13-6-7-14-27(26)23-31(30)41-33(34)28-17-8-15-25-16-9-19-36-32(25)28/h6-9,11,13-19,21-24H,4-5,10,12,20H2,1-3H3,(H,37,40)
InChIKeyMEOHWLKSHHBHPX-UHFFFAOYSA-N
XLogP7.63
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (8-quinolin-8-yl-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl) N-[5-(diethylamino)pentan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8-quinolin-8-yl-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl) N-[5-(diethylamino)pentan-2-yl]carbamate?
The IUPAC name of (8-quinolin-8-yl-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl) N-[5-(diethylamino)pentan-2-yl]carbamate (CID 155554085) is (8-quinolin-8-yl-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl) N-[5-(diethylamino)pentan-2-yl]carbamate.
What is the SMILES notation for (8-quinolin-8-yl-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl) N-[5-(diethylamino)pentan-2-yl]carbamate?
The canonical SMILES for (8-quinolin-8-yl-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl) N-[5-(diethylamino)pentan-2-yl]carbamate is CCN(CC)CCCC(C)NC(=O)OC1=C(c2cccc3cccnc23)Oc2cc3ccccc3cc2-n2cccc21.
What is the InChIKey of (8-quinolin-8-yl-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl) N-[5-(diethylamino)pentan-2-yl]carbamate?
The InChIKey is MEOHWLKSHHBHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N4O3/c1-4-38(5-2)20-10-12-24(3)37-35(40)42-34-29-18-11-21-39(29)30-22-26-13-6-7-14-27(26)23-31(30)41-33(34)28-17-8-15-25-16-9-19-36-32(25)28/h6-9,11,13-19,21-24H,4-5,10,12,20H2,1-3H3,(H,37,40).
What are the key properties of (8-quinolin-8-yl-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl) N-[5-(diethylamino)pentan-2-yl]carbamate?
(8-quinolin-8-yl-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl) N-[5-(diethylamino)pentan-2-yl]carbamate has a molecular weight of 560.70 g/mol, XLogP of 7.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-quinolin-8-yl-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl) N-[5-(diethylamino)pentan-2-yl]carbamate is sourced from PubChem (CID 155554085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).