1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

C15H18ClN3O2 — CID 119909636

IUPAC1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCc1nc2ccccc2nc1CN1CCCC1C(=O)O.Cl
InChIInChI=1S/C15H17N3O2.ClH/c1-10-13(9-18-8-4-7-14(18)15(19)20)17-12-6-3-2-5-11(12)16-10;/h2-3,5-6,14H,4,7-9H2,1H3,(H,19,20);1H
InChIKeyZHVSNFSGXOQXSN-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.41
Rot. Bonds3

About 1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 119909636) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID119909636
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCc1nc2ccccc2nc1CN1CCCC1C(=O)O.Cl
InChIInChI=1S/C15H17N3O2.ClH/c1-10-13(9-18-8-4-7-14(18)15(19)20)17-12-6-3-2-5-11(12)16-10;/h2-3,5-6,14H,4,7-9H2,1H3,(H,19,20);1H
InChIKeyZHVSNFSGXOQXSN-UHFFFAOYSA-N
XLogP2.41
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidine-2-carboxamide
CID 74236742
1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43442128
1-(quinoxalin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3611610
(2R)-1-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 170899024
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
(4aS,8aS)-4-[(3-methylquinoxalin-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 94414210
1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone
CID 56885682
1-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 119908763
1-(1,3-benzoxazol-2-ylmethyl)azepane-2-carboxylic acid
CID 64563936
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid
CID 43442189
1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909685

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 119909636) is 1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is Cc1nc2ccccc2nc1CN1CCCC1C(=O)O.Cl.
What is the InChIKey of 1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is ZHVSNFSGXOQXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2.ClH/c1-10-13(9-18-8-4-7-14(18)15(19)20)17-12-6-3-2-5-11(12)16-10;/h2-3,5-6,14H,4,7-9H2,1H3,(H,19,20);1H.
What are the key properties of 1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 307.78 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 119909636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).