N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide

C23H26N4O3 — CID 9400351

IUPACN-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccccc1[C@@H](CNC(=O)Cn1cnc2ccccc2c1=O)N1CCCC1
InChIInChI=1S/C23H26N4O3/c1-30-21-11-5-3-9-18(21)20(26-12-6-7-13-26)14-24-22(28)15-27-16-25-19-10-4-2-8-17(19)23(27)29/h2-5,8-11,16,20H,6-7,12-15H2,1H3,(H,24,28)/t20-/m1/s1
InChIKeyHLMXMAJSIWXDOP-HXUWFJFHSA-N
MW406.49 g/mol
LogP2.36
Rot. Bonds7

About N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 9400351) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID9400351
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccccc1[C@@H](CNC(=O)Cn1cnc2ccccc2c1=O)N1CCCC1
InChIInChI=1S/C23H26N4O3/c1-30-21-11-5-3-9-18(21)20(26-12-6-7-13-26)14-24-22(28)15-27-16-25-19-10-4-2-8-17(19)23(27)29/h2-5,8-11,16,20H,6-7,12-15H2,1H3,(H,24,28)/t20-/m1/s1
InChIKeyHLMXMAJSIWXDOP-HXUWFJFHSA-N
XLogP2.36
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9403212
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 43044912
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 43003526
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 56745247
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941
2-(4-oxoquinazolin-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 95229580
2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 5048859
2-(2-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 34936220
2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631
N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 34937128
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]acetamide
CID 92614239
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122253592

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 9400351) is N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide is COc1ccccc1[C@@H](CNC(=O)Cn1cnc2ccccc2c1=O)N1CCCC1.
What is the InChIKey of N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is HLMXMAJSIWXDOP-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-30-21-11-5-3-9-18(21)20(26-12-6-7-13-26)14-24-22(28)15-27-16-25-19-10-4-2-8-17(19)23(27)29/h2-5,8-11,16,20H,6-7,12-15H2,1H3,(H,24,28)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 406.49 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 9400351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).