N-[4-(2-amino-2-oxoethoxy)-2-(4-methylphenyl)quinolin-6-yl]cyclopropanecarboxamide

C22H21N3O3 — CID 53113631

IUPACN-[4-(2-amino-2-oxoethoxy)-2-(4-methylphenyl)quinolin-6-yl]cyclopropanecarboxamide
SMILESCc1ccc(-c2cc(OCC(N)=O)c3cc(NC(=O)C4CC4)ccc3n2)cc1
InChIInChI=1S/C22H21N3O3/c1-13-2-4-14(5-3-13)19-11-20(28-12-21(23)26)17-10-16(8-9-18(17)25-19)24-22(27)15-6-7-15/h2-5,8-11,15H,6-7,12H2,1H3,(H2,23,26)(H,24,27)
InChIKeyZLDLAGJERLZXLU-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.42
Rot. Bonds6

About N-[4-(2-amino-2-oxoethoxy)-2-(4-methylphenyl)quinolin-6-yl]cyclopropanecarboxamide

N-[4-(2-amino-2-oxoethoxy)-2-(4-methylphenyl)quinolin-6-yl]cyclopropanecarboxamide (PubChem CID 53113631) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)-2-(4-methylphenyl)quinolin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)-2-(4-methylphenyl)quinolin-6-yl]cyclopropanecarboxamide
PubChem CID53113631
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[4-(2-amino-2-oxoethoxy)-2-(4-methylphenyl)quinolin-6-yl]cyclopropanecarboxamide
SMILESCc1ccc(-c2cc(OCC(N)=O)c3cc(NC(=O)C4CC4)ccc3n2)cc1
InChIInChI=1S/C22H21N3O3/c1-13-2-4-14(5-3-13)19-11-20(28-12-21(23)26)17-10-16(8-9-18(17)25-19)24-22(27)15-6-7-15/h2-5,8-11,15H,6-7,12H2,1H3,(H2,23,26)(H,24,27)
InChIKeyZLDLAGJERLZXLU-UHFFFAOYSA-N
XLogP3.42
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)-2-(4-methylphenyl)quinolin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)-2-(4-methylphenyl)quinolin-6-yl]cyclopropanecarboxamide (CID 53113631) is N-[4-(2-amino-2-oxoethoxy)-2-(4-methylphenyl)quinolin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)-2-(4-methylphenyl)quinolin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)-2-(4-methylphenyl)quinolin-6-yl]cyclopropanecarboxamide is Cc1ccc(-c2cc(OCC(N)=O)c3cc(NC(=O)C4CC4)ccc3n2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)-2-(4-methylphenyl)quinolin-6-yl]cyclopropanecarboxamide?
The InChIKey is ZLDLAGJERLZXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13-2-4-14(5-3-13)19-11-20(28-12-21(23)26)17-10-16(8-9-18(17)25-19)24-22(27)15-6-7-15/h2-5,8-11,15H,6-7,12H2,1H3,(H2,23,26)(H,24,27).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)-2-(4-methylphenyl)quinolin-6-yl]cyclopropanecarboxamide?
N-[4-(2-amino-2-oxoethoxy)-2-(4-methylphenyl)quinolin-6-yl]cyclopropanecarboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)-2-(4-methylphenyl)quinolin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 53113631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).