N,N-dimethyl-2-[(2R)-4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide

C24H28N4O4 — CID 92639254

IUPACN,N-dimethyl-2-[(2R)-4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
SMILESCc1onc(C(C)C)c1C(=O)N1CCO[C@@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1
InChIInChI=1S/C24H28N4O4/c1-14(2)22-21(15(3)32-26-22)24(30)28-10-11-31-20(13-28)19-12-17(23(29)27(4)5)16-8-6-7-9-18(16)25-19/h6-9,12,14,20H,10-11,13H2,1-5H3/t20-/m1/s1
InChIKeyLMWZAOGHGUIUAN-HXUWFJFHSA-N
MW436.51 g/mol
LogP3.57
Rot. Bonds4

About N,N-dimethyl-2-[(2R)-4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide

N,N-dimethyl-2-[(2R)-4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide (PubChem CID 92639254) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2R)-4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2R)-4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
PubChem CID92639254
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN,N-dimethyl-2-[(2R)-4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
SMILESCc1onc(C(C)C)c1C(=O)N1CCO[C@@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1
InChIInChI=1S/C24H28N4O4/c1-14(2)22-21(15(3)32-26-22)24(30)28-10-11-31-20(13-28)19-12-17(23(29)27(4)5)16-8-6-7-9-18(16)25-19/h6-9,12,14,20H,10-11,13H2,1-5H3/t20-/m1/s1
InChIKeyLMWZAOGHGUIUAN-HXUWFJFHSA-N
XLogP3.57
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2R)-4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-[(2R)-4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide (CID 92639254) is N,N-dimethyl-2-[(2R)-4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[(2R)-4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[(2R)-4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide is Cc1onc(C(C)C)c1C(=O)N1CCO[C@@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1.
What is the InChIKey of N,N-dimethyl-2-[(2R)-4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
The InChIKey is LMWZAOGHGUIUAN-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-14(2)22-21(15(3)32-26-22)24(30)28-10-11-31-20(13-28)19-12-17(23(29)27(4)5)16-8-6-7-9-18(16)25-19/h6-9,12,14,20H,10-11,13H2,1-5H3/t20-/m1/s1.
What are the key properties of N,N-dimethyl-2-[(2R)-4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
N,N-dimethyl-2-[(2R)-4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2R)-4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 92639254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).