(2R,5R)-5-[[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]methyl]oxolane-2-carboxamide

C22H22N4O4 — CID 97225767

IUPAC(2R,5R)-5-[[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]methyl]oxolane-2-carboxamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1
InChIInChI=1S/C22H22N4O4/c1-13-25-18-5-3-2-4-17(18)22(29)26(13)15-8-6-14(7-9-15)21(28)24-12-16-10-11-19(30-16)20(23)27/h2-9,16,19H,10-12H2,1H3,(H2,23,27)(H,24,28)/t16-,19-/m1/s1
InChIKeyMSWWHJHLIYJKQK-VQIMIIECSA-N
MW406.44 g/mol
LogP1.46
Rot. Bonds5

About (2R,5R)-5-[[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]methyl]oxolane-2-carboxamide

(2R,5R)-5-[[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]methyl]oxolane-2-carboxamide (PubChem CID 97225767) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is (2R,5R)-5-[[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,5R)-5-[[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]methyl]oxolane-2-carboxamide
PubChem CID97225767
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name(2R,5R)-5-[[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]methyl]oxolane-2-carboxamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1
InChIInChI=1S/C22H22N4O4/c1-13-25-18-5-3-2-4-17(18)22(29)26(13)15-8-6-14(7-9-15)21(28)24-12-16-10-11-19(30-16)20(23)27/h2-9,16,19H,10-12H2,1H3,(H2,23,27)(H,24,28)/t16-,19-/m1/s1
InChIKeyMSWWHJHLIYJKQK-VQIMIIECSA-N
XLogP1.46
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,5R)-5-[[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]methyl]oxolane-2-carboxamide with MolForge

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Related Compounds

(2R,5S)-5-[[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]methyl]oxolane-2-carboxamide
CID 97225766
N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46415784
2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide
CID 9399217
ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
1-benzyl-3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]thiourea
CID 35785421
N-[3-(cyclopropanecarbonylamino)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46579082
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 86878908
N-(2-ethyl-3-hydroxy-2-methylbutyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 71910593
3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one
CID 126769930
N-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 55368453
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39776818

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-[[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]methyl]oxolane-2-carboxamide?
The IUPAC name of (2R,5R)-5-[[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]methyl]oxolane-2-carboxamide (CID 97225767) is (2R,5R)-5-[[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R,5R)-5-[[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R,5R)-5-[[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]methyl]oxolane-2-carboxamide is Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1.
What is the InChIKey of (2R,5R)-5-[[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]methyl]oxolane-2-carboxamide?
The InChIKey is MSWWHJHLIYJKQK-VQIMIIECSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-13-25-18-5-3-2-4-17(18)22(29)26(13)15-8-6-14(7-9-15)21(28)24-12-16-10-11-19(30-16)20(23)27/h2-9,16,19H,10-12H2,1H3,(H2,23,27)(H,24,28)/t16-,19-/m1/s1.
What are the key properties of (2R,5R)-5-[[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]methyl]oxolane-2-carboxamide?
(2R,5R)-5-[[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]methyl]oxolane-2-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-[[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 97225767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).