(2S,4S)-4-methoxy-1-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-2-carboxamide

C16H20N4O3 — CID 128982167

IUPAC(2S,4S)-4-methoxy-1-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(CCn2cnc3ccccc3c2=O)C1
InChIInChI=1S/C16H20N4O3/c1-23-11-8-14(15(17)21)19(9-11)6-7-20-10-18-13-5-3-2-4-12(13)16(20)22/h2-5,10-11,14H,6-9H2,1H3,(H2,17,21)/t11-,14-/m0/s1
InChIKeyYZTHFWQPLMMKKZ-FZMZJTMJSA-N
MW316.36 g/mol
LogP-0.03
Rot. Bonds5

About (2S,4S)-4-methoxy-1-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-2-carboxamide

(2S,4S)-4-methoxy-1-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 128982167) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-1-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-1-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID128982167
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(2S,4S)-4-methoxy-1-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(CCn2cnc3ccccc3c2=O)C1
InChIInChI=1S/C16H20N4O3/c1-23-11-8-14(15(17)21)19(9-11)6-7-20-10-18-13-5-3-2-4-12(13)16(20)22/h2-5,10-11,14H,6-9H2,1H3,(H2,17,21)/t11-,14-/m0/s1
InChIKeyYZTHFWQPLMMKKZ-FZMZJTMJSA-N
XLogP-0.03
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,4S)-4-methoxy-1-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

methyl (2S,4R)-4-methoxy-1-[3-(4-oxoquinazolin-3-yl)propanoyl]pyrrolidine-2-carboxylate
CID 99984230
3-[2-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one
CID 128982702
3-[3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 128983150
3-[3-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 128984837
(2S,4S)-4-methoxy-1-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 128979751
methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate
CID 46949976
(2S,4S)-1-[(2-ethylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128982159
2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate
CID 30338221
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 119574378
3-(5-aminopentyl)quinazolin-4-one
CID 54965918
[(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 96523727
3-propylquinazolin-4-one
CID 529124

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-1-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-1-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-2-carboxamide (CID 128982167) is (2S,4S)-4-methoxy-1-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-1-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-1-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(N)=O)N(CCn2cnc3ccccc3c2=O)C1.
What is the InChIKey of (2S,4S)-4-methoxy-1-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is YZTHFWQPLMMKKZ-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-23-11-8-14(15(17)21)19(9-11)6-7-20-10-18-13-5-3-2-4-12(13)16(20)22/h2-5,10-11,14H,6-9H2,1H3,(H2,17,21)/t11-,14-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-1-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-methoxy-1-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-1-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 128982167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).