N-[2-(dimethylamino)ethyl]-8-[2-(4-fluoro-N-methylanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide

C27H33FN4O4 — CID 67194895

IUPACN-[2-(dimethylamino)ethyl]-8-[2-(4-fluoro-N-methylanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCN(C)CCNC(=O)c1cc(CCN(C)c2ccc(F)cc2)c2oc(N3CCOCC3)cc(=O)c2c1
InChIInChI=1S/C27H33FN4O4/c1-30(2)11-9-29-27(34)20-16-19(8-10-31(3)22-6-4-21(28)5-7-22)26-23(17-20)24(33)18-25(36-26)32-12-14-35-15-13-32/h4-7,16-18H,8-15H2,1-3H3,(H,29,34)
InChIKeyYSKWEJMKMKBECI-UHFFFAOYSA-N
MW496.58 g/mol
LogP2.74
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-8-[2-(4-fluoro-N-methylanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide

N-[2-(dimethylamino)ethyl]-8-[2-(4-fluoro-N-methylanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide (PubChem CID 67194895) has the molecular formula C27H33FN4O4 and a molecular weight of 496.58 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-8-[2-(4-fluoro-N-methylanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-8-[2-(4-fluoro-N-methylanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide
PubChem CID67194895
Molecular FormulaC27H33FN4O4
Molecular Weight496.58 g/mol
Exact Mass496.25
IUPAC NameN-[2-(dimethylamino)ethyl]-8-[2-(4-fluoro-N-methylanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCN(C)CCNC(=O)c1cc(CCN(C)c2ccc(F)cc2)c2oc(N3CCOCC3)cc(=O)c2c1
InChIInChI=1S/C27H33FN4O4/c1-30(2)11-9-29-27(34)20-16-19(8-10-31(3)22-6-4-21(28)5-7-22)26-23(17-20)24(33)18-25(36-26)32-12-14-35-15-13-32/h4-7,16-18H,8-15H2,1-3H3,(H,29,34)
InChIKeyYSKWEJMKMKBECI-UHFFFAOYSA-N
XLogP2.74
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.58
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-8-[2-(4-fluoro-N-methylanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-8-[2-(4-fluoro-N-methylanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide (CID 67194895) is N-[2-(dimethylamino)ethyl]-8-[2-(4-fluoro-N-methylanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-8-[2-(4-fluoro-N-methylanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-8-[2-(4-fluoro-N-methylanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide is CN(C)CCNC(=O)c1cc(CCN(C)c2ccc(F)cc2)c2oc(N3CCOCC3)cc(=O)c2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-8-[2-(4-fluoro-N-methylanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The InChIKey is YSKWEJMKMKBECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O4/c1-30(2)11-9-29-27(34)20-16-19(8-10-31(3)22-6-4-21(28)5-7-22)26-23(17-20)24(33)18-25(36-26)32-12-14-35-15-13-32/h4-7,16-18H,8-15H2,1-3H3,(H,29,34).
What are the key properties of N-[2-(dimethylamino)ethyl]-8-[2-(4-fluoro-N-methylanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
N-[2-(dimethylamino)ethyl]-8-[2-(4-fluoro-N-methylanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide has a molecular weight of 496.58 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-8-[2-(4-fluoro-N-methylanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide is sourced from PubChem (CID 67194895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).