(2R,4S)-4-[[2-(2-methoxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylic acid

C20H20N4O3 — CID 71019505

IUPAC(2R,4S)-4-[[2-(2-methoxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylic acid
SMILESCOc1ccccc1-c1nc(N[C@@H]2CN[C@@H](C(=O)O)C2)c2ccccc2n1
InChIInChI=1S/C20H20N4O3/c1-27-17-9-5-3-7-14(17)19-23-15-8-4-2-6-13(15)18(24-19)22-12-10-16(20(25)26)21-11-12/h2-9,12,16,21H,10-11H2,1H3,(H,25,26)(H,22,23,24)/t12-,16+/m0/s1
InChIKeyNMPJUDIGGYYFOA-BLLLJJGKSA-N
MW364.41 g/mol
LogP2.53
Rot. Bonds5

About (2R,4S)-4-[[2-(2-methoxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylic acid

(2R,4S)-4-[[2-(2-methoxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylic acid (PubChem CID 71019505) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is (2R,4S)-4-[[2-(2-methoxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-[[2-(2-methoxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylic acid
PubChem CID71019505
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name(2R,4S)-4-[[2-(2-methoxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylic acid
SMILESCOc1ccccc1-c1nc(N[C@@H]2CN[C@@H](C(=O)O)C2)c2ccccc2n1
InChIInChI=1S/C20H20N4O3/c1-27-17-9-5-3-7-14(17)19-23-15-8-4-2-6-13(15)18(24-19)22-12-10-16(20(25)26)21-11-12/h2-9,12,16,21H,10-11H2,1H3,(H,25,26)(H,22,23,24)/t12-,16+/m0/s1
InChIKeyNMPJUDIGGYYFOA-BLLLJJGKSA-N
XLogP2.53
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylate
CID 135921333
(2R)-N-ethyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide
CID 143796156
2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine
CID 10268483
2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol
CID 143796174
2-[2-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 91754929
2-[2-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 91754927
(2S)-4-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 70543840
methyl 4-hydroxy-3-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]benzoate
CID 135921394
2-methoxy-6-[4-(propan-2-ylamino)quinazolin-2-yl]phenol
CID 662767
N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-2-(2-methoxyphenyl)quinazolin-4-amine
CID 142127971
(2S,4S)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylic acid
CID 54194980
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(2-fluorophenyl)quinazolin-4-amine
CID 6062421

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-[[2-(2-methoxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-4-[[2-(2-methoxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylic acid (CID 71019505) is (2R,4S)-4-[[2-(2-methoxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-[[2-(2-methoxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-4-[[2-(2-methoxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylic acid is COc1ccccc1-c1nc(N[C@@H]2CN[C@@H](C(=O)O)C2)c2ccccc2n1.
What is the InChIKey of (2R,4S)-4-[[2-(2-methoxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylic acid?
The InChIKey is NMPJUDIGGYYFOA-BLLLJJGKSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-27-17-9-5-3-7-14(17)19-23-15-8-4-2-6-13(15)18(24-19)22-12-10-16(20(25)26)21-11-12/h2-9,12,16,21H,10-11H2,1H3,(H,25,26)(H,22,23,24)/t12-,16+/m0/s1.
What are the key properties of (2R,4S)-4-[[2-(2-methoxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylic acid?
(2R,4S)-4-[[2-(2-methoxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylic acid has a molecular weight of 364.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-[[2-(2-methoxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 71019505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).