N-[2-(dimethylamino)-3-phenylpropyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

C22H26N4O2 — CID 51270885

IUPACN-[2-(dimethylamino)-3-phenylpropyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NCC(Cc3ccccc3)N(C)C)cnc12
InChIInChI=1S/C22H26N4O2/c1-16-8-7-11-19-21(16)24-15-26(22(19)28)14-20(27)23-13-18(25(2)3)12-17-9-5-4-6-10-17/h4-11,15,18H,12-14H2,1-3H3,(H,23,27)
InChIKeyYIILFOFONCWAMA-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.99
Rot. Bonds7

About N-[2-(dimethylamino)-3-phenylpropyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

N-[2-(dimethylamino)-3-phenylpropyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 51270885) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-phenylpropyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-phenylpropyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID51270885
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[2-(dimethylamino)-3-phenylpropyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NCC(Cc3ccccc3)N(C)C)cnc12
InChIInChI=1S/C22H26N4O2/c1-16-8-7-11-19-21(16)24-15-26(22(19)28)14-20(27)23-13-18(25(2)3)12-17-9-5-4-6-10-17/h4-11,15,18H,12-14H2,1-3H3,(H,23,27)
InChIKeyYIILFOFONCWAMA-UHFFFAOYSA-N
XLogP1.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46664447
benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938253
N-[2-(dimethylamino)-3-phenylpropyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51175658
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide
CID 55897690
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 27016294
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 41103569
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 134041392
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55804193
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(1-phenylcyclobutyl)acetamide
CID 51273261
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27022306
N-[2-(diethylamino)-3-phenylpropyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46413948
2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60544932

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (CID 51270885) is N-[2-(dimethylamino)-3-phenylpropyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-phenylpropyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-3-phenylpropyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1cccc2c(=O)n(CC(=O)NCC(Cc3ccccc3)N(C)C)cnc12.
What is the InChIKey of N-[2-(dimethylamino)-3-phenylpropyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is YIILFOFONCWAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-8-7-11-19-21(16)24-15-26(22(19)28)14-20(27)23-13-18(25(2)3)12-17-9-5-4-6-10-17/h4-11,15,18H,12-14H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(dimethylamino)-3-phenylpropyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[2-(dimethylamino)-3-phenylpropyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 378.48 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-phenylpropyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 51270885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).