(2R)-1-[[2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

C22H22FN5O3 — CID 52515061

IUPAC(2R)-1-[[2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1Cc1ccccc1NC(=O)Cn1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C22H22FN5O3/c23-15-7-8-18-16(10-15)22(31)28(13-25-18)12-20(29)26-17-5-2-1-4-14(17)11-27-9-3-6-19(27)21(24)30/h1-2,4-5,7-8,10,13,19H,3,6,9,11-12H2,(H2,24,30)(H,26,29)/t19-/m1/s1
InChIKeyBFAGPEHQFDHBTG-LJQANCHMSA-N
MW423.45 g/mol
LogP1.62
Rot. Bonds6

About (2R)-1-[[2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

(2R)-1-[[2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 52515061) has the molecular formula C22H22FN5O3 and a molecular weight of 423.45 g/mol. Its IUPAC name is (2R)-1-[[2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[[2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID52515061
Molecular FormulaC22H22FN5O3
Molecular Weight423.45 g/mol
Exact Mass423.17
IUPAC Name(2R)-1-[[2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1Cc1ccccc1NC(=O)Cn1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C22H22FN5O3/c23-15-7-8-18-16(10-15)22(31)28(13-25-18)12-20(29)26-17-5-2-1-4-14(17)11-27-9-3-6-19(27)21(24)30/h1-2,4-5,7-8,10,13,19H,3,6,9,11-12H2,(H2,24,30)(H,26,29)/t19-/m1/s1
InChIKeyBFAGPEHQFDHBTG-LJQANCHMSA-N
XLogP1.62
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[[2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52526979
1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 86950776
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 55576746
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 55777259
1-[[2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 56547610
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 46581294
N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51363052
N-(2-ethylphenyl)-2-[[2-(7-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 40750672
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide
CID 47023949
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide
CID 7488154
1-[[2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 56547950
N-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 7488437

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[[2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 52515061) is (2R)-1-[[2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[[2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[[2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1Cc1ccccc1NC(=O)Cn1cnc2ccc(F)cc2c1=O.
What is the InChIKey of (2R)-1-[[2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is BFAGPEHQFDHBTG-LJQANCHMSA-N. The full InChI is InChI=1S/C22H22FN5O3/c23-15-7-8-18-16(10-15)22(31)28(13-25-18)12-20(29)26-17-5-2-1-4-14(17)11-27-9-3-6-19(27)21(24)30/h1-2,4-5,7-8,10,13,19H,3,6,9,11-12H2,(H2,24,30)(H,26,29)/t19-/m1/s1.
What are the key properties of (2R)-1-[[2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
(2R)-1-[[2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 52515061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).