3-(2,4-dioxoquinazolin-1-yl)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide

C23H26N4O3 — CID 98954680

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
SMILESC[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C1
InChIInChI=1S/C23H26N4O3/c1-16(17-7-3-2-4-8-17)26-13-11-18(15-26)24-21(28)12-14-27-20-10-6-5-9-19(20)22(29)25-23(27)30/h2-10,16,18H,11-15H2,1H3,(H,24,28)(H,25,29,30)/t16-,18-/m1/s1
InChIKeyMRCZQNGIAVWYJZ-SJLPKXTDSA-N
MW406.49 g/mol
LogP2.03
Rot. Bonds6

About 3-(2,4-dioxoquinazolin-1-yl)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide

3-(2,4-dioxoquinazolin-1-yl)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide (PubChem CID 98954680) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
PubChem CID98954680
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
SMILESC[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C1
InChIInChI=1S/C23H26N4O3/c1-16(17-7-3-2-4-8-17)26-13-11-18(15-26)24-21(28)12-14-27-20-10-6-5-9-19(20)22(29)25-23(27)30/h2-10,16,18H,11-15H2,1H3,(H,24,28)(H,25,29,30)/t16-,18-/m1/s1
InChIKeyMRCZQNGIAVWYJZ-SJLPKXTDSA-N
XLogP2.03
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide (CID 98954680) is 3-(2,4-dioxoquinazolin-1-yl)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide is C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C1.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide?
The InChIKey is MRCZQNGIAVWYJZ-SJLPKXTDSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16(17-7-3-2-4-8-17)26-13-11-18(15-26)24-21(28)12-14-27-20-10-6-5-9-19(20)22(29)25-23(27)30/h2-10,16,18H,11-15H2,1H3,(H,24,28)(H,25,29,30)/t16-,18-/m1/s1.
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide?
3-(2,4-dioxoquinazolin-1-yl)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide has a molecular weight of 406.49 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 98954680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).