N-(2-aminoethyl)-1-methyl-4-oxo-N-(2-phenylethyl)cinnoline-3-carboxamide;hydrochloride

C20H23ClN4O2 — CID 120884289

IUPACN-(2-aminoethyl)-1-methyl-4-oxo-N-(2-phenylethyl)cinnoline-3-carboxamide;hydrochloride
SMILESCl.Cn1nc(C(=O)N(CCN)CCc2ccccc2)c(=O)c2ccccc21
InChIInChI=1S/C20H22N4O2.ClH/c1-23-17-10-6-5-9-16(17)19(25)18(22-23)20(26)24(14-12-21)13-11-15-7-3-2-4-8-15;/h2-10H,11-14,21H2,1H3;1H
InChIKeyUENFKHQTPWGSLJ-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.00
Rot. Bonds6

About N-(2-aminoethyl)-1-methyl-4-oxo-N-(2-phenylethyl)cinnoline-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-methyl-4-oxo-N-(2-phenylethyl)cinnoline-3-carboxamide;hydrochloride (PubChem CID 120884289) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-methyl-4-oxo-N-(2-phenylethyl)cinnoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-methyl-4-oxo-N-(2-phenylethyl)cinnoline-3-carboxamide;hydrochloride
PubChem CID120884289
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC NameN-(2-aminoethyl)-1-methyl-4-oxo-N-(2-phenylethyl)cinnoline-3-carboxamide;hydrochloride
SMILESCl.Cn1nc(C(=O)N(CCN)CCc2ccccc2)c(=O)c2ccccc21
InChIInChI=1S/C20H22N4O2.ClH/c1-23-17-10-6-5-9-16(17)19(25)18(22-23)20(26)24(14-12-21)13-11-15-7-3-2-4-8-15;/h2-10H,11-14,21H2,1H3;1H
InChIKeyUENFKHQTPWGSLJ-UHFFFAOYSA-N
XLogP2.00
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-phenylethyl)acetamide
CID 120886672
N-(2-aminoethyl)-5-cyclopropyl-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide;hydrochloride
CID 120886743
1-(1-methylindazol-3-yl)-3-phenylpropan-1-one
CID 103123981
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
N-(2-aminoethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886485
N-benzyl-N,1-dimethylindazole-3-carboxamide
CID 110851100
2-[(1-methylindazole-3-carbonyl)-propylamino]acetic acid
CID 103116595
N-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 120884432
N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 120884813
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
CID 120886128
N-(2-aminoethyl)-2-ethoxy-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886517

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-methyl-4-oxo-N-(2-phenylethyl)cinnoline-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-methyl-4-oxo-N-(2-phenylethyl)cinnoline-3-carboxamide;hydrochloride (CID 120884289) is N-(2-aminoethyl)-1-methyl-4-oxo-N-(2-phenylethyl)cinnoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-methyl-4-oxo-N-(2-phenylethyl)cinnoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-methyl-4-oxo-N-(2-phenylethyl)cinnoline-3-carboxamide;hydrochloride is Cl.Cn1nc(C(=O)N(CCN)CCc2ccccc2)c(=O)c2ccccc21.
What is the InChIKey of N-(2-aminoethyl)-1-methyl-4-oxo-N-(2-phenylethyl)cinnoline-3-carboxamide;hydrochloride?
The InChIKey is UENFKHQTPWGSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.ClH/c1-23-17-10-6-5-9-16(17)19(25)18(22-23)20(26)24(14-12-21)13-11-15-7-3-2-4-8-15;/h2-10H,11-14,21H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-1-methyl-4-oxo-N-(2-phenylethyl)cinnoline-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-methyl-4-oxo-N-(2-phenylethyl)cinnoline-3-carboxamide;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-methyl-4-oxo-N-(2-phenylethyl)cinnoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 120884289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).