N-cyclopropyl-4-methyl-3-[6-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide

C25H28N4O3 — CID 11316420

IUPACN-cyclopropyl-4-methyl-3-[6-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1cnc2ccc(OC3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C25H28N4O3/c1-16-3-4-17(24(30)27-18-5-6-18)13-23(16)29-15-26-22-8-7-20(14-21(22)25(29)31)32-19-9-11-28(2)12-10-19/h3-4,7-8,13-15,18-19H,5-6,9-12H2,1-2H3,(H,27,30)
InChIKeyYOFQDXDHIAVFOY-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.06
Rot. Bonds5

About N-cyclopropyl-4-methyl-3-[6-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide

N-cyclopropyl-4-methyl-3-[6-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide (PubChem CID 11316420) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[6-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[6-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide
PubChem CID11316420
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-cyclopropyl-4-methyl-3-[6-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1cnc2ccc(OC3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C25H28N4O3/c1-16-3-4-17(24(30)27-18-5-6-18)13-23(16)29-15-26-22-8-7-20(14-21(22)25(29)31)32-19-9-11-28(2)12-10-19/h3-4,7-8,13-15,18-19H,5-6,9-12H2,1-2H3,(H,27,30)
InChIKeyYOFQDXDHIAVFOY-UHFFFAOYSA-N
XLogP3.06
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-methyl-3-[6-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]benzamide
CID 66918958
(3S)-3-[3-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-oxoquinazolin-6-yl]oxypyrrolidine-1-carboxylic acid
CID 66919096
N-cyclopropyl-3-[6-[1-(2-hydroxypropyl)piperidin-4-yl]oxy-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918938
N-cyclopropyl-3-[6-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918975
N-cyclopropyl-3-[6-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918995
tert-butyl [3-[3-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-oxoquinazolin-6-yl]oxypyrrolidin-1-yl] carbonate
CID 66918887
3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide
CID 66919080
N-cyclopropyl-3-[6-(2-imidazol-1-ylethoxy)-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918934
N-cyclopropyl-3-[6-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918846
N-cyclopropyl-4-methyl-3-[6-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]-4-oxoquinazolin-3-yl]benzamide
CID 11237052
N-cyclopropyl-4-methyl-3-[6-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide
CID 11350585
N-cyclopropyl-3-[6-[2-(dimethylamino)ethylsulfonyl]-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918993

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[6-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[6-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide (CID 11316420) is N-cyclopropyl-4-methyl-3-[6-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[6-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[6-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-n1cnc2ccc(OC3CCN(C)CC3)cc2c1=O.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[6-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide?
The InChIKey is YOFQDXDHIAVFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-16-3-4-17(24(30)27-18-5-6-18)13-23(16)29-15-26-22-8-7-20(14-21(22)25(29)31)32-19-9-11-28(2)12-10-19/h3-4,7-8,13-15,18-19H,5-6,9-12H2,1-2H3,(H,27,30).
What are the key properties of N-cyclopropyl-4-methyl-3-[6-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide?
N-cyclopropyl-4-methyl-3-[6-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide has a molecular weight of 432.52 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[6-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide is sourced from PubChem (CID 11316420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).