N,N-dimethyl-2-[4-(quinoline-6-carbonyl)morpholin-2-yl]quinoline-4-carboxamide

C26H24N4O3 — CID 110251956

IUPACN,N-dimethyl-2-[4-(quinoline-6-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
SMILESCN(C)C(=O)c1cc(C2CN(C(=O)c3ccc4ncccc4c3)CCO2)nc2ccccc12
InChIInChI=1S/C26H24N4O3/c1-29(2)26(32)20-15-23(28-22-8-4-3-7-19(20)22)24-16-30(12-13-33-24)25(31)18-9-10-21-17(14-18)6-5-11-27-21/h3-11,14-15,24H,12-13,16H2,1-2H3
InChIKeyKOVJNPUGVRAYLN-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.70
Rot. Bonds3

About N,N-dimethyl-2-[4-(quinoline-6-carbonyl)morpholin-2-yl]quinoline-4-carboxamide

N,N-dimethyl-2-[4-(quinoline-6-carbonyl)morpholin-2-yl]quinoline-4-carboxamide (PubChem CID 110251956) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(quinoline-6-carbonyl)morpholin-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(quinoline-6-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
PubChem CID110251956
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN,N-dimethyl-2-[4-(quinoline-6-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
SMILESCN(C)C(=O)c1cc(C2CN(C(=O)c3ccc4ncccc4c3)CCO2)nc2ccccc12
InChIInChI=1S/C26H24N4O3/c1-29(2)26(32)20-15-23(28-22-8-4-3-7-19(20)22)24-16-30(12-13-33-24)25(31)18-9-10-21-17(14-18)6-5-11-27-21/h3-11,14-15,24H,12-13,16H2,1-2H3
InChIKeyKOVJNPUGVRAYLN-UHFFFAOYSA-N
XLogP3.70
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(quinoline-6-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-[4-(quinoline-6-carbonyl)morpholin-2-yl]quinoline-4-carboxamide (CID 110251956) is N,N-dimethyl-2-[4-(quinoline-6-carbonyl)morpholin-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(quinoline-6-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[4-(quinoline-6-carbonyl)morpholin-2-yl]quinoline-4-carboxamide is CN(C)C(=O)c1cc(C2CN(C(=O)c3ccc4ncccc4c3)CCO2)nc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-[4-(quinoline-6-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
The InChIKey is KOVJNPUGVRAYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-29(2)26(32)20-15-23(28-22-8-4-3-7-19(20)22)24-16-30(12-13-33-24)25(31)18-9-10-21-17(14-18)6-5-11-27-21/h3-11,14-15,24H,12-13,16H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(quinoline-6-carbonyl)morpholin-2-yl]quinoline-4-carboxamide?
N,N-dimethyl-2-[4-(quinoline-6-carbonyl)morpholin-2-yl]quinoline-4-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(quinoline-6-carbonyl)morpholin-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 110251956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).