3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide

C27H23N3O3 — CID 56547700

IUPAC3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)n1C1CC1)NC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C27H23N3O3/c31-25(29-26-19-8-2-5-11-22(19)33-23-12-6-3-9-20(23)26)16-15-24-28-21-10-4-1-7-18(21)27(32)30(24)17-13-14-17/h1-12,17,26H,13-16H2,(H,29,31)
InChIKeyNJBIDUSJODIABS-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.68
Rot. Bonds5

About 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide (PubChem CID 56547700) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide
PubChem CID56547700
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)n1C1CC1)NC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C27H23N3O3/c31-25(29-26-19-8-2-5-11-22(19)33-23-12-6-3-9-20(23)26)16-15-24-28-21-10-4-1-7-18(21)27(32)30(24)17-13-14-17/h1-12,17,26H,13-16H2,(H,29,31)
InChIKeyNJBIDUSJODIABS-UHFFFAOYSA-N
XLogP4.68
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
CID 7131753
(2-methoxy-2-oxoethyl) 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 43050906
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55515218
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009414
methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580760
S-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56579902
[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl] 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 46809068
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 55360146
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 55359950
3-[4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]propanoic acid
CID 80713286
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanamide
CID 55489736
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 55433139

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide?
The IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide (CID 56547700) is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide.
What is the SMILES notation for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide?
The canonical SMILES for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide is O=C(CCc1nc2ccccc2c(=O)n1C1CC1)NC1c2ccccc2Oc2ccccc21.
What is the InChIKey of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide?
The InChIKey is NJBIDUSJODIABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c31-25(29-26-19-8-2-5-11-22(19)33-23-12-6-3-9-20(23)26)16-15-24-28-21-10-4-1-7-18(21)27(32)30(24)17-13-14-17/h1-12,17,26H,13-16H2,(H,29,31).
What are the key properties of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide?
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide has a molecular weight of 437.50 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide is sourced from PubChem (CID 56547700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).