N-cyclopropyl-3-[[6-(2,3-dihydroxy-2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide

C23H25N3O5 — CID 91093209

IUPACN-cyclopropyl-3-[[6-(2,3-dihydroxy-2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide
SMILESCC(O)(CO)COc1ccc2ncn(Cc3cccc(C(=O)NC4CC4)c3)c(=O)c2c1
InChIInChI=1S/C23H25N3O5/c1-23(30,12-27)13-31-18-7-8-20-19(10-18)22(29)26(14-24-20)11-15-3-2-4-16(9-15)21(28)25-17-5-6-17/h2-4,7-10,14,17,27,30H,5-6,11-13H2,1H3,(H,25,28)
InChIKeyTUNWDDQFURDADM-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.46
Rot. Bonds8

About N-cyclopropyl-3-[[6-(2,3-dihydroxy-2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide

N-cyclopropyl-3-[[6-(2,3-dihydroxy-2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide (PubChem CID 91093209) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-cyclopropyl-3-[[6-(2,3-dihydroxy-2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[6-(2,3-dihydroxy-2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide
PubChem CID91093209
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC NameN-cyclopropyl-3-[[6-(2,3-dihydroxy-2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide
SMILESCC(O)(CO)COc1ccc2ncn(Cc3cccc(C(=O)NC4CC4)c3)c(=O)c2c1
InChIInChI=1S/C23H25N3O5/c1-23(30,12-27)13-31-18-7-8-20-19(10-18)22(29)26(14-24-20)11-15-3-2-4-16(9-15)21(28)25-17-5-6-17/h2-4,7-10,14,17,27,30H,5-6,11-13H2,1H3,(H,25,28)
InChIKeyTUNWDDQFURDADM-UHFFFAOYSA-N
XLogP1.46
TPSA113.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide
CID 53015892
3-(3-benzyl-4-oxoquinazolin-7-yl)-N-cyclopropyl-4-methylbenzamide
CID 11177317
N-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide
CID 118901622
3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide
CID 90260365
3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide
CID 66919080
6-bromo-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-one
CID 55923744
ethane;4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 142804202
N-(furan-2-ylmethyl)-3-[(6-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
CID 47061690
N-cyclopentyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9209303
N-cyclopropyl-3-[6-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918846
N-cyclopropyl-3-[6-(2-imidazol-1-ylethoxy)-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918934
4-[[6-(2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide
CID 174523482

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[6-(2,3-dihydroxy-2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-3-[[6-(2,3-dihydroxy-2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide (CID 91093209) is N-cyclopropyl-3-[[6-(2,3-dihydroxy-2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[6-(2,3-dihydroxy-2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[6-(2,3-dihydroxy-2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide is CC(O)(CO)COc1ccc2ncn(Cc3cccc(C(=O)NC4CC4)c3)c(=O)c2c1.
What is the InChIKey of N-cyclopropyl-3-[[6-(2,3-dihydroxy-2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide?
The InChIKey is TUNWDDQFURDADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-23(30,12-27)13-31-18-7-8-20-19(10-18)22(29)26(14-24-20)11-15-3-2-4-16(9-15)21(28)25-17-5-6-17/h2-4,7-10,14,17,27,30H,5-6,11-13H2,1H3,(H,25,28).
What are the key properties of N-cyclopropyl-3-[[6-(2,3-dihydroxy-2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide?
N-cyclopropyl-3-[[6-(2,3-dihydroxy-2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide has a molecular weight of 423.47 g/mol, XLogP of 1.46, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[6-(2,3-dihydroxy-2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide is sourced from PubChem (CID 91093209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).