2-[1-(2-aminoethyl)-2-(4-methoxyphenyl)-4-oxoquinolin-6-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide

C26H27N5O3 — CID 10182873

IUPAC2-[1-(2-aminoethyl)-2-(4-methoxyphenyl)-4-oxoquinolin-6-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
SMILESCOc1ccc(-c2cc(=O)c3cc(CC(=O)Nc4cc(C5CC5)[nH]n4)ccc3n2CCN)cc1
InChIInChI=1S/C26H27N5O3/c1-34-19-7-5-18(6-8-19)23-15-24(32)20-12-16(2-9-22(20)31(23)11-10-27)13-26(33)28-25-14-21(29-30-25)17-3-4-17/h2,5-9,12,14-15,17H,3-4,10-11,13,27H2,1H3,(H2,28,29,30,33)
InChIKeyJYUJTXAWTCHABA-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.42
Rot. Bonds8

About 2-[1-(2-aminoethyl)-2-(4-methoxyphenyl)-4-oxoquinolin-6-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide

2-[1-(2-aminoethyl)-2-(4-methoxyphenyl)-4-oxoquinolin-6-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide (PubChem CID 10182873) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-[1-(2-aminoethyl)-2-(4-methoxyphenyl)-4-oxoquinolin-6-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-aminoethyl)-2-(4-methoxyphenyl)-4-oxoquinolin-6-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
PubChem CID10182873
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name2-[1-(2-aminoethyl)-2-(4-methoxyphenyl)-4-oxoquinolin-6-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
SMILESCOc1ccc(-c2cc(=O)c3cc(CC(=O)Nc4cc(C5CC5)[nH]n4)ccc3n2CCN)cc1
InChIInChI=1S/C26H27N5O3/c1-34-19-7-5-18(6-8-19)23-15-24(32)20-12-16(2-9-22(20)31(23)11-10-27)13-26(33)28-25-14-21(29-30-25)17-3-4-17/h2,5-9,12,14-15,17H,3-4,10-11,13,27H2,1H3,(H2,28,29,30,33)
InChIKeyJYUJTXAWTCHABA-UHFFFAOYSA-N
XLogP3.42
TPSA115.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide
CID 22176854
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(furan-3-yl)-4-oxochromen-6-yl]acetamide
CID 10292843
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-phenoxyphenyl)acetamide
CID 22176647
N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]propanamide
CID 10203822
2-[4-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176703
2-[4-(2-acetylphenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176957
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide
CID 90932431
2-(4-aminophenyl)-N-(5-cyclopentyl-1H-pyrazol-3-yl)acetamide
CID 18423577
2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176805
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methylsulfanylphenyl)phenyl]acetamide
CID 22176895
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 22176712
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-methoxy-5-(6-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide
CID 69075131

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoethyl)-2-(4-methoxyphenyl)-4-oxoquinolin-6-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[1-(2-aminoethyl)-2-(4-methoxyphenyl)-4-oxoquinolin-6-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide (CID 10182873) is 2-[1-(2-aminoethyl)-2-(4-methoxyphenyl)-4-oxoquinolin-6-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(2-aminoethyl)-2-(4-methoxyphenyl)-4-oxoquinolin-6-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(2-aminoethyl)-2-(4-methoxyphenyl)-4-oxoquinolin-6-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide is COc1ccc(-c2cc(=O)c3cc(CC(=O)Nc4cc(C5CC5)[nH]n4)ccc3n2CCN)cc1.
What is the InChIKey of 2-[1-(2-aminoethyl)-2-(4-methoxyphenyl)-4-oxoquinolin-6-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is JYUJTXAWTCHABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-34-19-7-5-18(6-8-19)23-15-24(32)20-12-16(2-9-22(20)31(23)11-10-27)13-26(33)28-25-14-21(29-30-25)17-3-4-17/h2,5-9,12,14-15,17H,3-4,10-11,13,27H2,1H3,(H2,28,29,30,33).
What are the key properties of 2-[1-(2-aminoethyl)-2-(4-methoxyphenyl)-4-oxoquinolin-6-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
2-[1-(2-aminoethyl)-2-(4-methoxyphenyl)-4-oxoquinolin-6-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 457.53 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethyl)-2-(4-methoxyphenyl)-4-oxoquinolin-6-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 10182873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).