N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylphenyl)methyl]propanamide

C25H30N4O2 — CID 43072701

IUPACN-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
SMILESCc1nc2ccccc2c(=O)n1C(C)C(=O)N(C)Cc1ccccc1N1CCCCC1
InChIInChI=1S/C25H30N4O2/c1-18(29-19(2)26-22-13-7-6-12-21(22)25(29)31)24(30)27(3)17-20-11-5-8-14-23(20)28-15-9-4-10-16-28/h5-8,11-14,18H,4,9-10,15-17H2,1-3H3
InChIKeySWXBQHATKZVBPL-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.91
Rot. Bonds5

About N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylphenyl)methyl]propanamide

N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylphenyl)methyl]propanamide (PubChem CID 43072701) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
PubChem CID43072701
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
SMILESCc1nc2ccccc2c(=O)n1C(C)C(=O)N(C)Cc1ccccc1N1CCCCC1
InChIInChI=1S/C25H30N4O2/c1-18(29-19(2)26-22-13-7-6-12-21(22)25(29)31)24(30)27(3)17-20-11-5-8-14-23(20)28-15-9-4-10-16-28/h5-8,11-14,18H,4,9-10,15-17H2,1-3H3
InChIKeySWXBQHATKZVBPL-UHFFFAOYSA-N
XLogP3.91
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylphenyl)methyl]propanamide (CID 43072701) is N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylphenyl)methyl]propanamide is Cc1nc2ccccc2c(=O)n1C(C)C(=O)N(C)Cc1ccccc1N1CCCCC1.
What is the InChIKey of N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylphenyl)methyl]propanamide?
The InChIKey is SWXBQHATKZVBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18(29-19(2)26-22-13-7-6-12-21(22)25(29)31)24(30)27(3)17-20-11-5-8-14-23(20)28-15-9-4-10-16-28/h5-8,11-14,18H,4,9-10,15-17H2,1-3H3.
What are the key properties of N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylphenyl)methyl]propanamide?
N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylphenyl)methyl]propanamide has a molecular weight of 418.54 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 43072701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).