N-methyl-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]-N-phenylhexanamide

C23H26N4O3 — CID 135626702

IUPACN-methyl-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]-N-phenylhexanamide
SMILESCN(C(=O)CCCCCOc1cccc2c1N=C1NC(=O)CN1C2)c1ccccc1
InChIInChI=1S/C23H26N4O3/c1-26(18-10-4-2-5-11-18)21(29)13-6-3-7-14-30-19-12-8-9-17-15-27-16-20(28)24-23(27)25-22(17)19/h2,4-5,8-12H,3,6-7,13-16H2,1H3,(H,24,25,28)
InChIKeyYEZRPKJDIAEEFU-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.22
Rot. Bonds8

About N-methyl-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]-N-phenylhexanamide

N-methyl-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]-N-phenylhexanamide (PubChem CID 135626702) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-methyl-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]-N-phenylhexanamide.

Molecular Properties

Compound NameN-methyl-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]-N-phenylhexanamide
PubChem CID135626702
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-methyl-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]-N-phenylhexanamide
SMILESCN(C(=O)CCCCCOc1cccc2c1N=C1NC(=O)CN1C2)c1ccccc1
InChIInChI=1S/C23H26N4O3/c1-26(18-10-4-2-5-11-18)21(29)13-6-3-7-14-30-19-12-8-9-17-15-27-16-20(28)24-23(27)25-22(17)19/h2,4-5,8-12H,3,6-7,13-16H2,1H3,(H,24,25,28)
InChIKeyYEZRPKJDIAEEFU-UHFFFAOYSA-N
XLogP3.22
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyclohexylbutyl)-N-(2-hydroxyethyl)-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]hexanamide
CID 135973968
N-benzyl-N-methyl-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide
CID 135626852
N-cyclohexyl-N-(2-hydroxyethyl)-2-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]acetamide
CID 135626534
4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-6-yl)oxy]-N-methyl-N-phenylbutanamide
CID 135626683
N-cyclohexyl-N-(1-hydroxyethyl)-6-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl]oxy]hexanamide
CID 135626317
N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]butanamide
CID 135626668
N-(1-cyclopentylbutyl)-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide
CID 135626803
4-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]-N-methyl-N-phenylbutanamide
CID 135626363
N-hexyl-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptanamide
CID 135626770
11-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-phenylundecanamide
CID 17035156
N-methyl-N-phenylnonanamide
CID 54136731
N-cyclopentyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
CID 135626472

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]-N-phenylhexanamide?
The IUPAC name of N-methyl-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]-N-phenylhexanamide (CID 135626702) is N-methyl-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]-N-phenylhexanamide.
What is the SMILES notation for N-methyl-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]-N-phenylhexanamide?
The canonical SMILES for N-methyl-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]-N-phenylhexanamide is CN(C(=O)CCCCCOc1cccc2c1N=C1NC(=O)CN1C2)c1ccccc1.
What is the InChIKey of N-methyl-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]-N-phenylhexanamide?
The InChIKey is YEZRPKJDIAEEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-26(18-10-4-2-5-11-18)21(29)13-6-3-7-14-30-19-12-8-9-17-15-27-16-20(28)24-23(27)25-22(17)19/h2,4-5,8-12H,3,6-7,13-16H2,1H3,(H,24,25,28).
What are the key properties of N-methyl-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]-N-phenylhexanamide?
N-methyl-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]-N-phenylhexanamide has a molecular weight of 406.49 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]-N-phenylhexanamide is sourced from PubChem (CID 135626702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).