N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide

C23H23N3O3 — CID 119615610

IUPACN-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide
SMILESNCC(NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12)C1CC1
InChIInChI=1S/C23H23N3O3/c24-13-20(14-5-6-14)26-23(27)17-12-19(25-18-4-2-1-3-16(17)18)15-7-8-21-22(11-15)29-10-9-28-21/h1-4,7-8,11-12,14,20H,5-6,9-10,13,24H2,(H,26,27)
InChIKeyAOQVTWXVJMJGIV-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.14
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide

N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide (PubChem CID 119615610) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide
PubChem CID119615610
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide
SMILESNCC(NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12)C1CC1
InChIInChI=1S/C23H23N3O3/c24-13-20(14-5-6-14)26-23(27)17-12-19(25-18-4-2-1-3-16(17)18)15-7-8-21-22(11-15)29-10-9-28-21/h1-4,7-8,11-12,14,20H,5-6,9-10,13,24H2,(H,26,27)
InChIKeyAOQVTWXVJMJGIV-UHFFFAOYSA-N
XLogP3.14
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxypropan-2-yl)quinoline-4-carboxamide
CID 78856708
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide
CID 51172531
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 17372199
2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride
CID 46779784
2-(1,3-benzodioxol-5-yl)-N-heptan-4-ylquinoline-4-carboxamide
CID 46098215
N-[(3-carbamoylphenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide
CID 32637632
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]quinoline-4-carboxamide
CID 46536558
2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1028519
2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid;phenylmethanamine
CID 19715615
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopiperidin-1-yl)propyl]quinoline-4-carboxamide
CID 166220259
2-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]quinoline-4-carboxamide
CID 3540757
2-(1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide
CID 5212111

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide (CID 119615610) is N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide is NCC(NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide?
The InChIKey is AOQVTWXVJMJGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c24-13-20(14-5-6-14)26-23(27)17-12-19(25-18-4-2-1-3-16(17)18)15-7-8-21-22(11-15)29-10-9-28-21/h1-4,7-8,11-12,14,20H,5-6,9-10,13,24H2,(H,26,27).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide?
N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide is sourced from PubChem (CID 119615610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).