4-amino-N-cyclopropyl-2-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline-3-carboxamide

C19H24BN3O4 — CID 163255283

IUPAC4-amino-N-cyclopropyl-2-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline-3-carboxamide
SMILESCC1(C)OB(c2cccc3c(N)c(C(=O)NC4CC4)c(=O)[nH]c23)OC1(C)C
InChIInChI=1S/C19H24BN3O4/c1-18(2)19(3,4)27-20(26-18)12-7-5-6-11-14(21)13(17(25)23-15(11)12)16(24)22-10-8-9-10/h5-7,10H,8-9H2,1-4H3,(H,22,24)(H3,21,23,25)
InChIKeyJWIHEONXOZDQAR-UHFFFAOYSA-N
MW369.23 g/mol
LogP1.30
Rot. Bonds3

About 4-amino-N-cyclopropyl-2-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline-3-carboxamide

4-amino-N-cyclopropyl-2-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline-3-carboxamide (PubChem CID 163255283) has the molecular formula C19H24BN3O4 and a molecular weight of 369.23 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-2-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-2-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline-3-carboxamide
PubChem CID163255283
Molecular FormulaC19H24BN3O4
Molecular Weight369.23 g/mol
Exact Mass369.19
IUPAC Name4-amino-N-cyclopropyl-2-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline-3-carboxamide
SMILESCC1(C)OB(c2cccc3c(N)c(C(=O)NC4CC4)c(=O)[nH]c23)OC1(C)C
InChIInChI=1S/C19H24BN3O4/c1-18(2)19(3,4)27-20(26-18)12-7-5-6-11-14(21)13(17(25)23-15(11)12)16(24)22-10-8-9-10/h5-7,10H,8-9H2,1-4H3,(H,22,24)(H3,21,23,25)
InChIKeyJWIHEONXOZDQAR-UHFFFAOYSA-N
XLogP1.30
TPSA106.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-2-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline-3-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-2-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline-3-carboxamide (CID 163255283) is 4-amino-N-cyclopropyl-2-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-2-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-2-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline-3-carboxamide is CC1(C)OB(c2cccc3c(N)c(C(=O)NC4CC4)c(=O)[nH]c23)OC1(C)C.
What is the InChIKey of 4-amino-N-cyclopropyl-2-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline-3-carboxamide?
The InChIKey is JWIHEONXOZDQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BN3O4/c1-18(2)19(3,4)27-20(26-18)12-7-5-6-11-14(21)13(17(25)23-15(11)12)16(24)22-10-8-9-10/h5-7,10H,8-9H2,1-4H3,(H,22,24)(H3,21,23,25).
What are the key properties of 4-amino-N-cyclopropyl-2-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline-3-carboxamide?
4-amino-N-cyclopropyl-2-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline-3-carboxamide has a molecular weight of 369.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-2-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 163255283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).