3-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]propanamide

C24H25N5O2 — CID 46969878

IUPAC3-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]propanamide
SMILESCc1nc2ccccc2c(=O)n1CCC(=O)Nc1ccc(-n2ccnc2C(C)C)cc1
InChIInChI=1S/C24H25N5O2/c1-16(2)23-25-13-15-29(23)19-10-8-18(9-11-19)27-22(30)12-14-28-17(3)26-21-7-5-4-6-20(21)24(28)31/h4-11,13,15-16H,12,14H2,1-3H3,(H,27,30)
InChIKeyMOHAKAHJHBMAGL-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.04
Rot. Bonds6

About 3-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]propanamide

3-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]propanamide (PubChem CID 46969878) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]propanamide
PubChem CID46969878
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name3-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]propanamide
SMILESCc1nc2ccccc2c(=O)n1CCC(=O)Nc1ccc(-n2ccnc2C(C)C)cc1
InChIInChI=1S/C24H25N5O2/c1-16(2)23-25-13-15-29(23)19-10-8-18(9-11-19)27-22(30)12-14-28-17(3)26-21-7-5-4-6-20(21)24(28)31/h4-11,13,15-16H,12,14H2,1-3H3,(H,27,30)
InChIKeyMOHAKAHJHBMAGL-UHFFFAOYSA-N
XLogP4.04
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]propanamide (CID 46969878) is 3-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]propanamide is Cc1nc2ccccc2c(=O)n1CCC(=O)Nc1ccc(-n2ccnc2C(C)C)cc1.
What is the InChIKey of 3-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]propanamide?
The InChIKey is MOHAKAHJHBMAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16(2)23-25-13-15-29(23)19-10-8-18(9-11-19)27-22(30)12-14-28-17(3)26-21-7-5-4-6-20(21)24(28)31/h4-11,13,15-16H,12,14H2,1-3H3,(H,27,30).
What are the key properties of 3-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]propanamide?
3-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]propanamide has a molecular weight of 415.50 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 46969878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).