2-(6-amino-3-pyridinyl)-2-[(8-methoxyquinolin-5-yl)methyl-methylamino]acetic acid

C19H20N4O3 — CID 72881160

IUPAC2-(6-amino-3-pyridinyl)-2-[(8-methoxyquinolin-5-yl)methyl-methylamino]acetic acid
SMILESCOc1ccc(CN(C)C(C(=O)O)c2ccc(N)nc2)c2cccnc12
InChIInChI=1S/C19H20N4O3/c1-23(18(19(24)25)12-6-8-16(20)22-10-12)11-13-5-7-15(26-2)17-14(13)4-3-9-21-17/h3-10,18H,11H2,1-2H3,(H2,20,22)(H,24,25)
InChIKeyGOTBMNQCFZPZHO-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.48
Rot. Bonds6

About 2-(6-amino-3-pyridinyl)-2-[(8-methoxyquinolin-5-yl)methyl-methylamino]acetic acid

2-(6-amino-3-pyridinyl)-2-[(8-methoxyquinolin-5-yl)methyl-methylamino]acetic acid (PubChem CID 72881160) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(6-amino-3-pyridinyl)-2-[(8-methoxyquinolin-5-yl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-(6-amino-3-pyridinyl)-2-[(8-methoxyquinolin-5-yl)methyl-methylamino]acetic acid
PubChem CID72881160
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-(6-amino-3-pyridinyl)-2-[(8-methoxyquinolin-5-yl)methyl-methylamino]acetic acid
SMILESCOc1ccc(CN(C)C(C(=O)O)c2ccc(N)nc2)c2cccnc12
InChIInChI=1S/C19H20N4O3/c1-23(18(19(24)25)12-6-8-16(20)22-10-12)11-13-5-7-15(26-2)17-14(13)4-3-9-21-17/h3-10,18H,11H2,1-2H3,(H2,20,22)(H,24,25)
InChIKeyGOTBMNQCFZPZHO-UHFFFAOYSA-N
XLogP2.48
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(6-amino-3-pyridinyl)-2-[(8-methoxyquinolin-5-yl)methyl-methylamino]acetic acid with MolForge

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Related Compounds

3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide
CID 91828636
(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide
CID 97156555
1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea
CID 126435880
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 70730340
2-[[8-(methoxymethoxy)quinolin-5-yl]methyl-methylamino]acetic acid
CID 68660527
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[(2R)-2-phenylpropyl]-1,2-oxazole-5-carboxamide
CID 42498875
N-[(8-methoxyquinolin-5-yl)methyl]hydroxylamine
CID 117292523
N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74242304
[5-[[[8-(dimethylcarbamoyloxy)quinolin-5-yl]methyl-ethynylamino]methyl]quinolin-8-yl] N,N-dimethylcarbamate
CID 46862050
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 77092764
2-ethyl-N-[(8-methoxyquinolin-5-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 77089417
1-(8-methoxyquinolin-5-yl)-N-methylmethanamine
CID 16640560

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-pyridinyl)-2-[(8-methoxyquinolin-5-yl)methyl-methylamino]acetic acid?
The IUPAC name of 2-(6-amino-3-pyridinyl)-2-[(8-methoxyquinolin-5-yl)methyl-methylamino]acetic acid (CID 72881160) is 2-(6-amino-3-pyridinyl)-2-[(8-methoxyquinolin-5-yl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-(6-amino-3-pyridinyl)-2-[(8-methoxyquinolin-5-yl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-(6-amino-3-pyridinyl)-2-[(8-methoxyquinolin-5-yl)methyl-methylamino]acetic acid is COc1ccc(CN(C)C(C(=O)O)c2ccc(N)nc2)c2cccnc12.
What is the InChIKey of 2-(6-amino-3-pyridinyl)-2-[(8-methoxyquinolin-5-yl)methyl-methylamino]acetic acid?
The InChIKey is GOTBMNQCFZPZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-23(18(19(24)25)12-6-8-16(20)22-10-12)11-13-5-7-15(26-2)17-14(13)4-3-9-21-17/h3-10,18H,11H2,1-2H3,(H2,20,22)(H,24,25).
What are the key properties of 2-(6-amino-3-pyridinyl)-2-[(8-methoxyquinolin-5-yl)methyl-methylamino]acetic acid?
2-(6-amino-3-pyridinyl)-2-[(8-methoxyquinolin-5-yl)methyl-methylamino]acetic acid has a molecular weight of 352.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-pyridinyl)-2-[(8-methoxyquinolin-5-yl)methyl-methylamino]acetic acid is sourced from PubChem (CID 72881160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).