N-cyclopropyl-3-[6-(2-imidazol-1-ylethoxy)-4-oxoquinazolin-3-yl]-4-methylbenzamide

C24H23N5O3 — CID 66918934

IUPACN-cyclopropyl-3-[6-(2-imidazol-1-ylethoxy)-4-oxoquinazolin-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1cnc2ccc(OCCn3ccnc3)cc2c1=O
InChIInChI=1S/C24H23N5O3/c1-16-2-3-17(23(30)27-18-4-5-18)12-22(16)29-15-26-21-7-6-19(13-20(21)24(29)31)32-11-10-28-9-8-25-14-28/h2-3,6-9,12-15,18H,4-5,10-11H2,1H3,(H,27,30)
InChIKeyPFHZOXWQGGWOCC-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.86
Rot. Bonds7

About N-cyclopropyl-3-[6-(2-imidazol-1-ylethoxy)-4-oxoquinazolin-3-yl]-4-methylbenzamide

N-cyclopropyl-3-[6-(2-imidazol-1-ylethoxy)-4-oxoquinazolin-3-yl]-4-methylbenzamide (PubChem CID 66918934) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-cyclopropyl-3-[6-(2-imidazol-1-ylethoxy)-4-oxoquinazolin-3-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[6-(2-imidazol-1-ylethoxy)-4-oxoquinazolin-3-yl]-4-methylbenzamide
PubChem CID66918934
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC NameN-cyclopropyl-3-[6-(2-imidazol-1-ylethoxy)-4-oxoquinazolin-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1cnc2ccc(OCCn3ccnc3)cc2c1=O
InChIInChI=1S/C24H23N5O3/c1-16-2-3-17(23(30)27-18-4-5-18)12-22(16)29-15-26-21-7-6-19(13-20(21)24(29)31)32-11-10-28-9-8-25-14-28/h2-3,6-9,12-15,18H,4-5,10-11H2,1H3,(H,27,30)
InChIKeyPFHZOXWQGGWOCC-UHFFFAOYSA-N
XLogP2.86
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide
CID 66919080
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-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide
CID 11316420
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
N-cyclopropyl-3-[6-[2-(dimethylamino)ethylsulfonyl]-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918993
4-methyl-3-[6-[2-(1,4-oxazepan-4-yl)ethoxy]-4-oxoquinazolin-3-yl]benzoic acid
CID 68603163

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[6-(2-imidazol-1-ylethoxy)-4-oxoquinazolin-3-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[6-(2-imidazol-1-ylethoxy)-4-oxoquinazolin-3-yl]-4-methylbenzamide (CID 66918934) is N-cyclopropyl-3-[6-(2-imidazol-1-ylethoxy)-4-oxoquinazolin-3-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[6-(2-imidazol-1-ylethoxy)-4-oxoquinazolin-3-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[6-(2-imidazol-1-ylethoxy)-4-oxoquinazolin-3-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-n1cnc2ccc(OCCn3ccnc3)cc2c1=O.
What is the InChIKey of N-cyclopropyl-3-[6-(2-imidazol-1-ylethoxy)-4-oxoquinazolin-3-yl]-4-methylbenzamide?
The InChIKey is PFHZOXWQGGWOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-16-2-3-17(23(30)27-18-4-5-18)12-22(16)29-15-26-21-7-6-19(13-20(21)24(29)31)32-11-10-28-9-8-25-14-28/h2-3,6-9,12-15,18H,4-5,10-11H2,1H3,(H,27,30).
What are the key properties of N-cyclopropyl-3-[6-(2-imidazol-1-ylethoxy)-4-oxoquinazolin-3-yl]-4-methylbenzamide?
N-cyclopropyl-3-[6-(2-imidazol-1-ylethoxy)-4-oxoquinazolin-3-yl]-4-methylbenzamide has a molecular weight of 429.48 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[6-(2-imidazol-1-ylethoxy)-4-oxoquinazolin-3-yl]-4-methylbenzamide is sourced from PubChem (CID 66918934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).