N-[6-[2-(dipropylamino)-4-oxochromen-8-yl]dibenzothiophen-2-yl]-1-(morpholin-4-ylmethyl)cyclopropane-1-carboxamide

C36H39N3O4S — CID 89004655

IUPACN-[6-[2-(dipropylamino)-4-oxochromen-8-yl]dibenzothiophen-2-yl]-1-(morpholin-4-ylmethyl)cyclopropane-1-carboxamide
SMILESCCCN(CCC)c1cc(=O)c2cccc(-c3cccc4c3sc3ccc(NC(=O)C5(CN6CCOCC6)CC5)cc34)c2o1
InChIInChI=1S/C36H39N3O4S/c1-3-15-39(16-4-2)32-22-30(40)28-10-5-7-25(33(28)43-32)26-8-6-9-27-29-21-24(11-12-31(29)44-34(26)27)37-35(41)36(13-14-36)23-38-17-19-42-20-18-38/h5-12,21-22H,3-4,13-20,23H2,1-2H3,(H,37,41)
InChIKeyNJWIYOUMQFKYRJ-UHFFFAOYSA-N
MW609.79 g/mol
LogP7.51
Rot. Bonds10

About N-[6-[2-(dipropylamino)-4-oxochromen-8-yl]dibenzothiophen-2-yl]-1-(morpholin-4-ylmethyl)cyclopropane-1-carboxamide

N-[6-[2-(dipropylamino)-4-oxochromen-8-yl]dibenzothiophen-2-yl]-1-(morpholin-4-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 89004655) has the molecular formula C36H39N3O4S and a molecular weight of 609.79 g/mol. Its IUPAC name is N-[6-[2-(dipropylamino)-4-oxochromen-8-yl]dibenzothiophen-2-yl]-1-(morpholin-4-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(dipropylamino)-4-oxochromen-8-yl]dibenzothiophen-2-yl]-1-(morpholin-4-ylmethyl)cyclopropane-1-carboxamide
PubChem CID89004655
Molecular FormulaC36H39N3O4S
Molecular Weight609.79 g/mol
Exact Mass609.27
IUPAC NameN-[6-[2-(dipropylamino)-4-oxochromen-8-yl]dibenzothiophen-2-yl]-1-(morpholin-4-ylmethyl)cyclopropane-1-carboxamide
SMILESCCCN(CCC)c1cc(=O)c2cccc(-c3cccc4c3sc3ccc(NC(=O)C5(CN6CCOCC6)CC5)cc34)c2o1
InChIInChI=1S/C36H39N3O4S/c1-3-15-39(16-4-2)32-22-30(40)28-10-5-7-25(33(28)43-32)26-8-6-9-27-29-21-24(11-12-31(29)44-34(26)27)37-35(41)36(13-14-36)23-38-17-19-42-20-18-38/h5-12,21-22H,3-4,13-20,23H2,1-2H3,(H,37,41)
InChIKeyNJWIYOUMQFKYRJ-UHFFFAOYSA-N
XLogP7.51
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.79
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(dipropylamino)-4-oxochromen-8-yl]dibenzothiophen-2-yl]-1-(morpholin-4-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[6-[2-(dipropylamino)-4-oxochromen-8-yl]dibenzothiophen-2-yl]-1-(morpholin-4-ylmethyl)cyclopropane-1-carboxamide (CID 89004655) is N-[6-[2-(dipropylamino)-4-oxochromen-8-yl]dibenzothiophen-2-yl]-1-(morpholin-4-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-[2-(dipropylamino)-4-oxochromen-8-yl]dibenzothiophen-2-yl]-1-(morpholin-4-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[6-[2-(dipropylamino)-4-oxochromen-8-yl]dibenzothiophen-2-yl]-1-(morpholin-4-ylmethyl)cyclopropane-1-carboxamide is CCCN(CCC)c1cc(=O)c2cccc(-c3cccc4c3sc3ccc(NC(=O)C5(CN6CCOCC6)CC5)cc34)c2o1.
What is the InChIKey of N-[6-[2-(dipropylamino)-4-oxochromen-8-yl]dibenzothiophen-2-yl]-1-(morpholin-4-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is NJWIYOUMQFKYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N3O4S/c1-3-15-39(16-4-2)32-22-30(40)28-10-5-7-25(33(28)43-32)26-8-6-9-27-29-21-24(11-12-31(29)44-34(26)27)37-35(41)36(13-14-36)23-38-17-19-42-20-18-38/h5-12,21-22H,3-4,13-20,23H2,1-2H3,(H,37,41).
What are the key properties of N-[6-[2-(dipropylamino)-4-oxochromen-8-yl]dibenzothiophen-2-yl]-1-(morpholin-4-ylmethyl)cyclopropane-1-carboxamide?
N-[6-[2-(dipropylamino)-4-oxochromen-8-yl]dibenzothiophen-2-yl]-1-(morpholin-4-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 609.79 g/mol, XLogP of 7.51, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(dipropylamino)-4-oxochromen-8-yl]dibenzothiophen-2-yl]-1-(morpholin-4-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 89004655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).