N'-ethyl-6,8-dimethyl-2-[3-(oxan-4-ylamino)pentylamino]-N-oxo-1,2-dihydroquinoline-3-carboximidamide

C24H37N5O2 — CID 144575488

IUPACN'-ethyl-6,8-dimethyl-2-[3-(oxan-4-ylamino)pentylamino]-N-oxo-1,2-dihydroquinoline-3-carboximidamide
SMILESCC/N=C(\N=O)C1=Cc2cc(C)cc(C)c2NC1NCCC(CC)NC1CCOCC1
InChIInChI=1S/C24H37N5O2/c1-5-19(27-20-8-11-31-12-9-20)7-10-26-23-21(24(29-30)25-6-2)15-18-14-16(3)13-17(4)22(18)28-23/h13-15,19-20,23,26-28H,5-12H2,1-4H3/b25-24-
InChIKeyLWOXOGHYWSHIAN-IZHYLOQSSA-N
MW427.59 g/mol
LogP4.15
Rot. Bonds9

About N'-ethyl-6,8-dimethyl-2-[3-(oxan-4-ylamino)pentylamino]-N-oxo-1,2-dihydroquinoline-3-carboximidamide

N'-ethyl-6,8-dimethyl-2-[3-(oxan-4-ylamino)pentylamino]-N-oxo-1,2-dihydroquinoline-3-carboximidamide (PubChem CID 144575488) has the molecular formula C24H37N5O2 and a molecular weight of 427.59 g/mol. Its IUPAC name is N'-ethyl-6,8-dimethyl-2-[3-(oxan-4-ylamino)pentylamino]-N-oxo-1,2-dihydroquinoline-3-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-6,8-dimethyl-2-[3-(oxan-4-ylamino)pentylamino]-N-oxo-1,2-dihydroquinoline-3-carboximidamide
PubChem CID144575488
Molecular FormulaC24H37N5O2
Molecular Weight427.59 g/mol
Exact Mass427.29
IUPAC NameN'-ethyl-6,8-dimethyl-2-[3-(oxan-4-ylamino)pentylamino]-N-oxo-1,2-dihydroquinoline-3-carboximidamide
SMILESCC/N=C(\N=O)C1=Cc2cc(C)cc(C)c2NC1NCCC(CC)NC1CCOCC1
InChIInChI=1S/C24H37N5O2/c1-5-19(27-20-8-11-31-12-9-20)7-10-26-23-21(24(29-30)25-6-2)15-18-14-16(3)13-17(4)22(18)28-23/h13-15,19-20,23,26-28H,5-12H2,1-4H3/b25-24-
InChIKeyLWOXOGHYWSHIAN-IZHYLOQSSA-N
XLogP4.15
TPSA87.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-6,8-dimethyl-2-[3-(oxan-4-ylamino)pentylamino]-N-oxo-1,2-dihydroquinoline-3-carboximidamide?
The IUPAC name of N'-ethyl-6,8-dimethyl-2-[3-(oxan-4-ylamino)pentylamino]-N-oxo-1,2-dihydroquinoline-3-carboximidamide (CID 144575488) is N'-ethyl-6,8-dimethyl-2-[3-(oxan-4-ylamino)pentylamino]-N-oxo-1,2-dihydroquinoline-3-carboximidamide.
What is the SMILES notation for N'-ethyl-6,8-dimethyl-2-[3-(oxan-4-ylamino)pentylamino]-N-oxo-1,2-dihydroquinoline-3-carboximidamide?
The canonical SMILES for N'-ethyl-6,8-dimethyl-2-[3-(oxan-4-ylamino)pentylamino]-N-oxo-1,2-dihydroquinoline-3-carboximidamide is CC/N=C(\N=O)C1=Cc2cc(C)cc(C)c2NC1NCCC(CC)NC1CCOCC1.
What is the InChIKey of N'-ethyl-6,8-dimethyl-2-[3-(oxan-4-ylamino)pentylamino]-N-oxo-1,2-dihydroquinoline-3-carboximidamide?
The InChIKey is LWOXOGHYWSHIAN-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H37N5O2/c1-5-19(27-20-8-11-31-12-9-20)7-10-26-23-21(24(29-30)25-6-2)15-18-14-16(3)13-17(4)22(18)28-23/h13-15,19-20,23,26-28H,5-12H2,1-4H3/b25-24-.
What are the key properties of N'-ethyl-6,8-dimethyl-2-[3-(oxan-4-ylamino)pentylamino]-N-oxo-1,2-dihydroquinoline-3-carboximidamide?
N'-ethyl-6,8-dimethyl-2-[3-(oxan-4-ylamino)pentylamino]-N-oxo-1,2-dihydroquinoline-3-carboximidamide has a molecular weight of 427.59 g/mol, XLogP of 4.15, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-6,8-dimethyl-2-[3-(oxan-4-ylamino)pentylamino]-N-oxo-1,2-dihydroquinoline-3-carboximidamide is sourced from PubChem (CID 144575488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).