2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide

C23H32N4O3 — CID 155983035

IUPAC2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
SMILESCCN(CC)C(=O)CN1CCOC(c2cc(C(=O)NC(C)C)c3ccccc3n2)C1
InChIInChI=1S/C23H32N4O3/c1-5-27(6-2)22(28)15-26-11-12-30-21(14-26)20-13-18(23(29)24-16(3)4)17-9-7-8-10-19(17)25-20/h7-10,13,16,21H,5-6,11-12,14-15H2,1-4H3,(H,24,29)
InChIKeyJZYOPMJLVXNEMT-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.61
Rot. Bonds7

About 2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide

2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide (PubChem CID 155983035) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
PubChem CID155983035
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
SMILESCCN(CC)C(=O)CN1CCOC(c2cc(C(=O)NC(C)C)c3ccccc3n2)C1
InChIInChI=1S/C23H32N4O3/c1-5-27(6-2)22(28)15-26-11-12-30-21(14-26)20-13-18(23(29)24-16(3)4)17-9-7-8-10-19(17)25-20/h7-10,13,16,21H,5-6,11-12,14-15H2,1-4H3,(H,24,29)
InChIKeyJZYOPMJLVXNEMT-UHFFFAOYSA-N
XLogP2.61
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of 2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide (CID 155983035) is 2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for 2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide is CCN(CC)C(=O)CN1CCOC(c2cc(C(=O)NC(C)C)c3ccccc3n2)C1.
What is the InChIKey of 2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
The InChIKey is JZYOPMJLVXNEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-5-27(6-2)22(28)15-26-11-12-30-21(14-26)20-13-18(23(29)24-16(3)4)17-9-7-8-10-19(17)25-20/h7-10,13,16,21H,5-6,11-12,14-15H2,1-4H3,(H,24,29).
What are the key properties of 2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 155983035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).