2-[4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazin-1-yl]acetic acid

C19H22N4O5 — CID 154132170

IUPAC2-[4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazin-1-yl]acetic acid
SMILESCOc1c(C(N)=O)c(CC(=O)N2CCN(CC(=O)O)CC2)nc2ccccc12
InChIInChI=1S/C19H22N4O5/c1-28-18-12-4-2-3-5-13(12)21-14(17(18)19(20)27)10-15(24)23-8-6-22(7-9-23)11-16(25)26/h2-5H,6-11H2,1H3,(H2,20,27)(H,25,26)
InChIKeyJXXIPWCBCIWCDS-UHFFFAOYSA-N
MW386.41 g/mol
LogP0.11
Rot. Bonds6

About 2-[4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazin-1-yl]acetic acid

2-[4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazin-1-yl]acetic acid (PubChem CID 154132170) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazin-1-yl]acetic acid
PubChem CID154132170
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name2-[4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazin-1-yl]acetic acid
SMILESCOc1c(C(N)=O)c(CC(=O)N2CCN(CC(=O)O)CC2)nc2ccccc12
InChIInChI=1S/C19H22N4O5/c1-28-18-12-4-2-3-5-13(12)21-14(17(18)19(20)27)10-15(24)23-8-6-22(7-9-23)11-16(25)26/h2-5H,6-11H2,1H3,(H2,20,27)(H,25,26)
InChIKeyJXXIPWCBCIWCDS-UHFFFAOYSA-N
XLogP0.11
TPSA126.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate
CID 154175332
benzyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate
CID 154187740
2-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]acetic acid
CID 22184988
2-[4,7-bis(carboxymethyl)-10-[[3-[[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]methyl]quinoxalin-2-yl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 71491951
methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
CID 55493975
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 37132776
ethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate
CID 18191638
2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)piperazin-1-yl]acetic acid
CID 21203408
2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]acetic acid
CID 62825320
2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid
CID 2050633
2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid
CID 119134967
2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid
CID 65434176

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazin-1-yl]acetic acid (CID 154132170) is 2-[4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazin-1-yl]acetic acid is COc1c(C(N)=O)c(CC(=O)N2CCN(CC(=O)O)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazin-1-yl]acetic acid?
The InChIKey is JXXIPWCBCIWCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-28-18-12-4-2-3-5-13(12)21-14(17(18)19(20)27)10-15(24)23-8-6-22(7-9-23)11-16(25)26/h2-5H,6-11H2,1H3,(H2,20,27)(H,25,26).
What are the key properties of 2-[4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazin-1-yl]acetic acid?
2-[4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazin-1-yl]acetic acid has a molecular weight of 386.41 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 154132170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).