6-methoxy-8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-4-oxochromene-2-carboxamide

C27H30N4O6 — CID 23533321

IUPAC6-methoxy-8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-4-oxochromene-2-carboxamide
SMILESCOc1cc(N2CCN(C)CC2)c2oc(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)cc(=O)c2c1
InChIInChI=1S/C27H30N4O6/c1-29-7-9-30(10-8-29)22-16-20(35-2)15-21-23(32)17-24(37-25(21)22)26(33)28-19-5-3-18(4-6-19)27(34)31-11-13-36-14-12-31/h3-6,15-17H,7-14H2,1-2H3,(H,28,33)
InChIKeyINHHEUBMKWEIMP-UHFFFAOYSA-N
MW506.56 g/mol
LogP2.28
Rot. Bonds5

About 6-methoxy-8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-4-oxochromene-2-carboxamide

6-methoxy-8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-4-oxochromene-2-carboxamide (PubChem CID 23533321) has the molecular formula C27H30N4O6 and a molecular weight of 506.56 g/mol. Its IUPAC name is 6-methoxy-8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-4-oxochromene-2-carboxamide
PubChem CID23533321
Molecular FormulaC27H30N4O6
Molecular Weight506.56 g/mol
Exact Mass506.22
IUPAC Name6-methoxy-8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-4-oxochromene-2-carboxamide
SMILESCOc1cc(N2CCN(C)CC2)c2oc(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)cc(=O)c2c1
InChIInChI=1S/C27H30N4O6/c1-29-7-9-30(10-8-29)22-16-20(35-2)15-21-23(32)17-24(37-25(21)22)26(33)28-19-5-3-18(4-6-19)27(34)31-11-13-36-14-12-31/h3-6,15-17H,7-14H2,1-2H3,(H,28,33)
InChIKeyINHHEUBMKWEIMP-UHFFFAOYSA-N
XLogP2.28
TPSA104.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 6-methoxy-8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-4-oxochromene-2-carboxamide (CID 23533321) is 6-methoxy-8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-methoxy-8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-methoxy-8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-4-oxochromene-2-carboxamide is COc1cc(N2CCN(C)CC2)c2oc(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)cc(=O)c2c1.
What is the InChIKey of 6-methoxy-8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-4-oxochromene-2-carboxamide?
The InChIKey is INHHEUBMKWEIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O6/c1-29-7-9-30(10-8-29)22-16-20(35-2)15-21-23(32)17-24(37-25(21)22)26(33)28-19-5-3-18(4-6-19)27(34)31-11-13-36-14-12-31/h3-6,15-17H,7-14H2,1-2H3,(H,28,33).
What are the key properties of 6-methoxy-8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-4-oxochromene-2-carboxamide?
6-methoxy-8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-4-oxochromene-2-carboxamide has a molecular weight of 506.56 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 23533321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).