N-(3-methyl-2-morpholin-4-ylbutyl)-2-morpholin-4-ylquinoline-4-carboxamide

C23H32N4O3 — CID 46975815

IUPACN-(3-methyl-2-morpholin-4-ylbutyl)-2-morpholin-4-ylquinoline-4-carboxamide
SMILESCC(C)C(CNC(=O)c1cc(N2CCOCC2)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C23H32N4O3/c1-17(2)21(26-7-11-29-12-8-26)16-24-23(28)19-15-22(27-9-13-30-14-10-27)25-20-6-4-3-5-18(19)20/h3-6,15,17,21H,7-14,16H2,1-2H3,(H,24,28)
InChIKeyCHLAYFKXKGIPSS-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.16
Rot. Bonds6

About N-(3-methyl-2-morpholin-4-ylbutyl)-2-morpholin-4-ylquinoline-4-carboxamide

N-(3-methyl-2-morpholin-4-ylbutyl)-2-morpholin-4-ylquinoline-4-carboxamide (PubChem CID 46975815) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-(3-methyl-2-morpholin-4-ylbutyl)-2-morpholin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-morpholin-4-ylbutyl)-2-morpholin-4-ylquinoline-4-carboxamide
PubChem CID46975815
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-(3-methyl-2-morpholin-4-ylbutyl)-2-morpholin-4-ylquinoline-4-carboxamide
SMILESCC(C)C(CNC(=O)c1cc(N2CCOCC2)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C23H32N4O3/c1-17(2)21(26-7-11-29-12-8-26)16-24-23(28)19-15-22(27-9-13-30-14-10-27)25-20-6-4-3-5-18(19)20/h3-6,15,17,21H,7-14,16H2,1-2H3,(H,24,28)
InChIKeyCHLAYFKXKGIPSS-UHFFFAOYSA-N
XLogP2.16
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-2-morpholin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-2-morpholin-4-ylquinoline-4-carboxamide (CID 46975815) is N-(3-methyl-2-morpholin-4-ylbutyl)-2-morpholin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-methyl-2-morpholin-4-ylbutyl)-2-morpholin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-methyl-2-morpholin-4-ylbutyl)-2-morpholin-4-ylquinoline-4-carboxamide is CC(C)C(CNC(=O)c1cc(N2CCOCC2)nc2ccccc12)N1CCOCC1.
What is the InChIKey of N-(3-methyl-2-morpholin-4-ylbutyl)-2-morpholin-4-ylquinoline-4-carboxamide?
The InChIKey is CHLAYFKXKGIPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-17(2)21(26-7-11-29-12-8-26)16-24-23(28)19-15-22(27-9-13-30-14-10-27)25-20-6-4-3-5-18(19)20/h3-6,15,17,21H,7-14,16H2,1-2H3,(H,24,28).
What are the key properties of N-(3-methyl-2-morpholin-4-ylbutyl)-2-morpholin-4-ylquinoline-4-carboxamide?
N-(3-methyl-2-morpholin-4-ylbutyl)-2-morpholin-4-ylquinoline-4-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-morpholin-4-ylbutyl)-2-morpholin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 46975815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).