N-(cyclobutylmethyl)-2-(4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide

C18H23N3O2 — CID 126789807

IUPACN-(cyclobutylmethyl)-2-(4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(CC1CCC1)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C18H23N3O2/c1-13(2)21(10-14-6-5-7-14)17(22)11-20-12-19-16-9-4-3-8-15(16)18(20)23/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3
InChIKeyRVONTUVJYPHUKU-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.43
Rot. Bonds5

About N-(cyclobutylmethyl)-2-(4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide

N-(cyclobutylmethyl)-2-(4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide (PubChem CID 126789807) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-(4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-(4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide
PubChem CID126789807
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(cyclobutylmethyl)-2-(4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(CC1CCC1)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C18H23N3O2/c1-13(2)21(10-14-6-5-7-14)17(22)11-20-12-19-16-9-4-3-8-15(16)18(20)23/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3
InChIKeyRVONTUVJYPHUKU-UHFFFAOYSA-N
XLogP2.43
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-(4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-(cyclobutylmethyl)-2-(4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide (CID 126789807) is N-(cyclobutylmethyl)-2-(4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-(4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-(4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide is CC(C)N(CC1CCC1)C(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-(cyclobutylmethyl)-2-(4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide?
The InChIKey is RVONTUVJYPHUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(2)21(10-14-6-5-7-14)17(22)11-20-12-19-16-9-4-3-8-15(16)18(20)23/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-2-(4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide?
N-(cyclobutylmethyl)-2-(4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide has a molecular weight of 313.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-(4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 126789807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).